USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1083 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 137 HIS : no HE2:sc= -1.91 K(o=-2.2,f=-3.4!) USER MOD Set 1.2: A 141 ASN : amide:sc= -0.281 K(o=-2.2,f=-3.4) USER MOD Set 2.1: A 33 ASN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Set 2.2: A 99 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot -75:sc= 0.67 USER MOD Set 3.2: A 35 HIS : no HD1:sc= -1.5 X(o=-0.83,f=-0.54) USER MOD Set 4.1: A 28 ASN : amide:sc= 0.0566 K(o=0.46,f=-3!) USER MOD Set 4.2: A 29 LYS NZ :NH3+ 180:sc= 0.405 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -5.8! C(o=-5.8!,f=-5.6!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 0.905 (180deg=0.232) USER MOD Single : A 12 ASN : amide:sc=-0.00463 X(o=-0.0046,f=-0.069) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -60:sc= -0.363 USER MOD Single : A 26 ASN : amide:sc= -0.56 K(o=-0.56,f=-1.5!) USER MOD Single : A 27 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -130:sc= -0.747 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 149:sc= 0.67 USER MOD Single : A 46 SER OG : rot -62:sc= -2.3! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -2.45 K(o=-2.4,f=-3.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00235 USER MOD Single : A 54 ASN : amide:sc= -0.232 K(o=-0.23,f=-4.5!) USER MOD Single : A 56 TYR OH : rot -103:sc= 0.0232 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -2.55 K(o=-2.6,f=-4.6) USER MOD Single : A 83 SER OG : rot 180:sc= 0.329 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -4.01! C(o=-4!,f=-12!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-3!) USER MOD Single : A 93 TYR OH : rot 136:sc= 0.942 USER MOD Single : A 104 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.7) USER MOD Single : A 106 TYR OH : rot 139:sc= -1.09 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -140:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 162:sc= -0.4 (180deg=-0.892) USER MOD Single : A 116 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 124 TYR OH : rot 180:sc= -1.86! USER MOD Single : A 125 THR OG1 : rot -156:sc= -0.648 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.5) USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= -1.35 (180deg=-2.49!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.697 -8.376 -15.717 1.00 0.00 N ATOM 12 CA VAL A 2 3.688 -9.416 -14.664 1.00 0.00 C ATOM 13 C VAL A 2 2.351 -9.378 -13.892 1.00 0.00 C ATOM 14 O VAL A 2 1.973 -8.367 -13.296 1.00 0.00 O ATOM 15 CB VAL A 2 4.921 -9.176 -13.770 1.00 0.00 C ATOM 16 CG1 VAL A 2 5.125 -10.343 -12.849 1.00 0.00 C ATOM 17 CG2 VAL A 2 6.246 -9.101 -14.529 1.00 0.00 C ATOM 0 HA VAL A 2 3.756 -10.420 -15.083 1.00 0.00 H new ATOM 0 HB VAL A 2 4.704 -8.230 -13.275 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.998 -10.163 -12.222 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.245 -10.467 -12.218 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.280 -11.248 -13.437 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.060 -8.930 -13.824 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.415 -10.038 -15.059 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.209 -8.281 -15.246 1.00 0.00 H new ATOM 27 N THR A 3 1.579 -10.437 -14.050 1.00 0.00 N ATOM 28 CA THR A 3 0.233 -10.580 -13.449 1.00 0.00 C ATOM 29 C THR A 3 0.343 -11.108 -12.020 1.00 0.00 C ATOM 30 O THR A 3 0.437 -12.316 -11.783 1.00 0.00 O ATOM 31 CB THR A 3 -0.664 -11.384 -14.413 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.394 -10.419 -15.185 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.633 -12.402 -13.807 1.00 0.00 C ATOM 0 H THR A 3 1.859 -11.245 -14.606 1.00 0.00 H new ATOM 0 HA THR A 3 -0.266 -9.618 -13.330 1.00 0.00 H new ATOM 0 HB THR A 3 0.008 -12.018 -14.992 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.981 -10.883 -15.818 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.195 -12.888 -14.604 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.071 -13.152 -13.249 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.323 -11.892 -13.135 1.00 0.00 H new ATOM 41 N TRP A 4 0.446 -10.183 -11.088 1.00 0.00 N ATOM 42 CA TRP A 4 0.533 -10.518 -9.654 1.00 0.00 C ATOM 43 C TRP A 4 -0.870 -10.765 -9.095 1.00 0.00 C ATOM 44 O TRP A 4 -1.701 -9.870 -9.018 1.00 0.00 O ATOM 45 CB TRP A 4 1.212 -9.410 -8.849 1.00 0.00 C ATOM 46 CG TRP A 4 2.701 -9.273 -9.169 1.00 0.00 C ATOM 47 CD1 TRP A 4 3.210 -8.776 -10.284 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.766 -9.644 -8.357 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.536 -8.819 -10.247 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.931 -9.337 -9.089 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.852 -10.276 -7.097 1.00 0.00 C ATOM 52 CZ2 TRP A 4 6.206 -9.675 -8.588 1.00 0.00 C ATOM 53 CZ3 TRP A 4 5.118 -10.634 -6.601 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.287 -10.342 -7.338 1.00 0.00 C ATOM 0 H TRP A 4 0.473 -9.183 -11.285 1.00 0.00 H new ATOM 0 HA TRP A 4 1.139 -11.419 -9.563 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.713 -8.462 -9.051 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.091 -9.614 -7.785 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.629 -8.390 -11.108 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.156 -8.503 -10.993 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.960 -10.481 -6.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.100 -9.432 -9.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.197 -11.137 -5.648 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.252 -10.629 -6.947 1.00 0.00 H new ATOM 65 N THR A 5 -1.128 -12.029 -8.815 1.00 0.00 N ATOM 66 CA THR A 5 -2.448 -12.480 -8.347 1.00 0.00 C ATOM 67 C THR A 5 -2.335 -12.920 -6.875 1.00 0.00 C ATOM 68 O THR A 5 -1.327 -13.477 -6.436 1.00 0.00 O ATOM 69 CB THR A 5 -2.983 -13.611 -9.240 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.828 -13.190 -10.600 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.482 -13.844 -9.021 1.00 0.00 C ATOM 0 H THR A 5 -0.440 -12.777 -8.901 1.00 0.00 H new ATOM 0 HA THR A 5 -3.163 -11.659 -8.412 1.00 0.00 H new ATOM 0 HB THR A 5 -2.439 -14.526 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.159 -13.891 -11.199 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.823 -14.651 -9.670 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.660 -14.115 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.030 -12.932 -9.257 1.00 0.00 H new ATOM 79 N CYS A 6 -3.337 -12.510 -6.123 1.00 0.00 N ATOM 80 CA CYS A 6 -3.465 -12.795 -4.688 1.00 0.00 C ATOM 81 C CYS A 6 -4.813 -13.457 -4.373 1.00 0.00 C ATOM 82 O CYS A 6 -5.768 -13.340 -5.135 1.00 0.00 O ATOM 83 CB CYS A 6 -3.313 -11.517 -3.880 1.00 0.00 C ATOM 84 SG CYS A 6 -1.728 -11.501 -2.966 1.00 0.00 S ATOM 0 H CYS A 6 -4.109 -11.955 -6.492 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.671 -13.489 -4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.362 -10.655 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.142 -11.426 -3.178 1.00 0.00 H new ATOM 89 N LEU A 7 -4.857 -14.138 -3.235 1.00 0.00 N ATOM 90 CA LEU A 7 -6.064 -14.863 -2.810 1.00 0.00 C ATOM 91 C LEU A 7 -6.560 -14.329 -1.453 1.00 0.00 C ATOM 92 O LEU A 7 -6.008 -14.646 -0.393 1.00 0.00 O ATOM 93 CB LEU A 7 -5.752 -16.359 -2.727 1.00 0.00 C ATOM 94 CG LEU A 7 -5.596 -16.970 -4.121 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.556 -18.095 -4.094 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.942 -17.501 -4.620 1.00 0.00 C ATOM 0 H LEU A 7 -4.074 -14.208 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.858 -14.707 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.836 -16.511 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.551 -16.871 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.252 -16.195 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.455 -18.521 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.595 -17.694 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.877 -18.871 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.817 -17.933 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.308 -18.266 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.661 -16.683 -4.668 1.00 0.00 H new ATOM 108 N ASN A 8 -7.404 -13.316 -1.554 1.00 0.00 N ATOM 109 CA ASN A 8 -8.007 -12.672 -0.379 1.00 0.00 C ATOM 110 C ASN A 8 -9.377 -13.264 -0.067 1.00 0.00 C ATOM 111 O ASN A 8 -10.103 -13.705 -0.961 1.00 0.00 O ATOM 112 CB ASN A 8 -8.121 -11.152 -0.565 1.00 0.00 C ATOM 113 CG ASN A 8 -6.773 -10.449 -0.431 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.668 -9.335 0.043 1.00 0.00 O ATOM 115 ND2 ASN A 8 -5.698 -11.106 -0.793 1.00 0.00 N ATOM 0 H ASN A 8 -7.695 -12.912 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.344 -12.864 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.543 -10.939 -1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.814 -10.749 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.778 -10.682 -0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.782 -12.041 -1.191 1.00 0.00 H new ATOM 122 N ASP A 9 -9.700 -13.222 1.214 1.00 0.00 N ATOM 123 CA ASP A 9 -10.991 -13.745 1.679 1.00 0.00 C ATOM 124 C ASP A 9 -12.014 -12.589 1.766 1.00 0.00 C ATOM 125 O ASP A 9 -11.734 -11.595 2.398 1.00 0.00 O ATOM 126 CB ASP A 9 -10.771 -14.418 3.031 1.00 0.00 C ATOM 127 CG ASP A 9 -11.428 -15.806 3.074 1.00 0.00 C ATOM 128 OD1 ASP A 9 -12.581 -15.929 2.608 1.00 0.00 O ATOM 129 OD2 ASP A 9 -10.770 -16.698 3.654 1.00 0.00 O ATOM 0 H ASP A 9 -9.103 -12.839 1.947 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.393 -14.482 0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.702 -14.512 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.184 -13.793 3.823 1.00 0.00 H new ATOM 134 N GLN A 10 -13.194 -12.756 1.174 1.00 0.00 N ATOM 135 CA GLN A 10 -14.265 -11.736 1.227 1.00 0.00 C ATOM 136 C GLN A 10 -15.585 -12.278 1.780 1.00 0.00 C ATOM 137 O GLN A 10 -16.037 -13.341 1.350 1.00 0.00 O ATOM 138 CB GLN A 10 -14.507 -11.087 -0.130 1.00 0.00 C ATOM 139 CG GLN A 10 -13.539 -9.928 -0.325 1.00 0.00 C ATOM 140 CD GLN A 10 -13.951 -9.075 -1.519 1.00 0.00 C ATOM 141 OE1 GLN A 10 -14.418 -9.552 -2.550 1.00 0.00 O ATOM 142 NE2 GLN A 10 -13.763 -7.785 -1.406 1.00 0.00 N ATOM 0 H GLN A 10 -13.444 -13.592 0.645 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.900 -10.978 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.374 -11.822 -0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.535 -10.730 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.514 -9.314 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.530 -10.312 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.375 -7.400 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.005 -7.165 -2.179 1.00 0.00 H new ATOM 151 N LYS A 11 -16.034 -11.657 2.878 1.00 0.00 N ATOM 152 CA LYS A 11 -17.285 -12.049 3.556 1.00 0.00 C ATOM 153 C LYS A 11 -18.445 -11.307 2.934 1.00 0.00 C ATOM 154 O LYS A 11 -18.719 -10.137 3.221 1.00 0.00 O ATOM 155 CB LYS A 11 -17.246 -11.839 5.079 1.00 0.00 C ATOM 156 CG LYS A 11 -18.552 -12.269 5.765 1.00 0.00 C ATOM 157 CD LYS A 11 -18.366 -12.485 7.273 1.00 0.00 C ATOM 158 CE LYS A 11 -17.948 -13.923 7.566 1.00 0.00 C ATOM 159 NZ LYS A 11 -17.008 -13.955 8.690 1.00 0.00 N ATOM 0 H LYS A 11 -15.549 -10.876 3.321 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.411 -13.122 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.415 -12.405 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.056 -10.787 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.316 -11.509 5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.915 -13.190 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.611 -11.797 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.296 -12.258 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.826 -14.525 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.486 -14.363 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.181 -14.805 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.034 -13.974 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.142 -13.108 9.278 1.00 0.00 H new ATOM 173 N ASN A 12 -19.073 -12.018 2.008 1.00 0.00 N ATOM 174 CA ASN A 12 -20.219 -11.450 1.294 1.00 0.00 C ATOM 175 C ASN A 12 -21.400 -11.322 2.280 1.00 0.00 C ATOM 176 O ASN A 12 -21.715 -12.295 2.965 1.00 0.00 O ATOM 177 CB ASN A 12 -20.579 -12.335 0.104 1.00 0.00 C ATOM 178 CG ASN A 12 -20.860 -11.551 -1.165 1.00 0.00 C ATOM 179 OD1 ASN A 12 -20.059 -10.766 -1.643 1.00 0.00 O ATOM 180 ND2 ASN A 12 -22.008 -11.797 -1.754 1.00 0.00 N ATOM 0 H ASN A 12 -18.820 -12.968 1.734 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.975 -10.461 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.762 -13.032 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -21.456 -12.931 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -22.243 -11.328 -2.628 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.664 -12.458 -1.337 1.00 0.00 H new ATOM 187 N PRO A 13 -22.072 -10.162 2.291 1.00 0.00 N ATOM 188 CA PRO A 13 -23.234 -9.912 3.174 1.00 0.00 C ATOM 189 C PRO A 13 -24.498 -10.676 2.746 1.00 0.00 C ATOM 190 O PRO A 13 -25.262 -11.121 3.586 1.00 0.00 O ATOM 191 CB PRO A 13 -23.411 -8.394 3.145 1.00 0.00 C ATOM 192 CG PRO A 13 -22.863 -7.975 1.784 1.00 0.00 C ATOM 193 CD PRO A 13 -21.760 -8.977 1.476 1.00 0.00 C ATOM 0 HA PRO A 13 -23.061 -10.282 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.459 -8.114 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.866 -7.915 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.641 -7.998 1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.474 -6.957 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.739 -9.224 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.780 -8.573 1.729 1.00 0.00 H new ATOM 201 N LYS A 14 -24.595 -10.965 1.447 1.00 0.00 N ATOM 202 CA LYS A 14 -25.681 -11.790 0.886 1.00 0.00 C ATOM 203 C LYS A 14 -25.346 -13.292 0.952 1.00 0.00 C ATOM 204 O LYS A 14 -26.218 -14.146 0.810 1.00 0.00 O ATOM 205 CB LYS A 14 -25.984 -11.283 -0.539 1.00 0.00 C ATOM 206 CG LYS A 14 -27.175 -11.952 -1.243 1.00 0.00 C ATOM 207 CD LYS A 14 -26.699 -13.175 -2.029 1.00 0.00 C ATOM 208 CE LYS A 14 -27.048 -13.053 -3.519 1.00 0.00 C ATOM 209 NZ LYS A 14 -26.085 -13.861 -4.272 1.00 0.00 N ATOM 0 H LYS A 14 -23.927 -10.637 0.750 1.00 0.00 H new ATOM 0 HA LYS A 14 -26.586 -11.686 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.169 -10.210 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.095 -11.426 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -27.922 -12.250 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -27.656 -11.242 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -25.621 -13.286 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.158 -14.075 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.065 -13.400 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.005 -12.011 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -26.298 -13.797 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.123 -13.507 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -26.150 -14.853 -3.966 1.00 0.00 H new ATOM 223 N THR A 15 -24.099 -13.602 1.284 1.00 0.00 N ATOM 224 CA THR A 15 -23.693 -15.015 1.414 1.00 0.00 C ATOM 225 C THR A 15 -23.517 -15.419 2.889 1.00 0.00 C ATOM 226 O THR A 15 -23.363 -16.601 3.182 1.00 0.00 O ATOM 227 CB THR A 15 -22.494 -15.310 0.510 1.00 0.00 C ATOM 228 OG1 THR A 15 -22.582 -16.606 -0.033 1.00 0.00 O ATOM 229 CG2 THR A 15 -21.126 -15.335 1.181 1.00 0.00 C ATOM 0 H THR A 15 -23.361 -12.922 1.466 1.00 0.00 H new ATOM 0 HA THR A 15 -24.494 -15.661 1.055 1.00 0.00 H new ATOM 0 HB THR A 15 -22.551 -14.488 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 15 -21.807 -16.773 -0.609 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.360 -15.554 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 15 -20.925 -14.364 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.113 -16.105 1.952 1.00 0.00 H new ATOM 237 N ASN A 16 -23.375 -14.411 3.760 1.00 0.00 N ATOM 238 CA ASN A 16 -23.044 -14.554 5.199 1.00 0.00 C ATOM 239 C ASN A 16 -21.870 -15.518 5.454 1.00 0.00 C ATOM 240 O ASN A 16 -21.819 -16.255 6.448 1.00 0.00 O ATOM 241 CB ASN A 16 -24.320 -15.004 5.914 1.00 0.00 C ATOM 242 CG ASN A 16 -24.606 -14.203 7.170 1.00 0.00 C ATOM 243 OD1 ASN A 16 -23.912 -13.275 7.578 1.00 0.00 O ATOM 244 ND2 ASN A 16 -25.714 -14.535 7.798 1.00 0.00 N ATOM 0 H ASN A 16 -23.490 -13.437 3.480 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.701 -13.596 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -25.165 -14.913 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -24.232 -16.059 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -26.002 -14.020 8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -26.284 -15.307 7.452 1.00 0.00 H new ATOM 251 N LYS A 17 -20.971 -15.545 4.480 1.00 0.00 N ATOM 252 CA LYS A 17 -19.833 -16.471 4.434 1.00 0.00 C ATOM 253 C LYS A 17 -18.670 -15.801 3.694 1.00 0.00 C ATOM 254 O LYS A 17 -18.814 -14.783 3.009 1.00 0.00 O ATOM 255 CB LYS A 17 -20.278 -17.752 3.713 1.00 0.00 C ATOM 256 CG LYS A 17 -20.215 -18.989 4.622 1.00 0.00 C ATOM 257 CD LYS A 17 -18.923 -19.763 4.371 1.00 0.00 C ATOM 258 CE LYS A 17 -19.000 -21.146 5.022 1.00 0.00 C ATOM 259 NZ LYS A 17 -18.058 -22.048 4.343 1.00 0.00 N ATOM 0 H LYS A 17 -21.007 -14.913 3.680 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.499 -16.726 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -21.297 -17.625 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -19.645 -17.913 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -20.268 -18.684 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -21.075 -19.632 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.755 -19.867 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.075 -19.210 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.757 -21.077 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.014 -21.539 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.104 -22.991 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.310 -22.120 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.092 -21.672 4.432 1.00 0.00 H new ATOM 273 N TYR A 18 -17.522 -16.429 3.868 1.00 0.00 N ATOM 274 CA TYR A 18 -16.243 -15.972 3.325 1.00 0.00 C ATOM 275 C TYR A 18 -15.815 -16.818 2.120 1.00 0.00 C ATOM 276 O TYR A 18 -16.122 -18.007 2.034 1.00 0.00 O ATOM 277 CB TYR A 18 -15.183 -16.083 4.432 1.00 0.00 C ATOM 278 CG TYR A 18 -14.693 -14.748 4.972 1.00 0.00 C ATOM 279 CD1 TYR A 18 -14.068 -13.838 4.110 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.830 -14.439 6.343 1.00 0.00 C ATOM 281 CE1 TYR A 18 -13.603 -12.594 4.596 1.00 0.00 C ATOM 282 CE2 TYR A 18 -14.382 -13.191 6.840 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.781 -12.277 5.944 1.00 0.00 C ATOM 284 OH TYR A 18 -13.515 -11.000 6.322 1.00 0.00 O ATOM 0 H TYR A 18 -17.444 -17.294 4.404 1.00 0.00 H new ATOM 0 HA TYR A 18 -16.347 -14.941 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -15.596 -16.664 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -14.329 -16.640 4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.940 -14.088 3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -15.278 -15.157 7.015 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -13.115 -11.896 3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -14.497 -12.942 7.885 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.678 -10.903 7.284 1.00 0.00 H new ATOM 294 N GLU A 19 -15.236 -16.127 1.153 1.00 0.00 N ATOM 295 CA GLU A 19 -14.801 -16.766 -0.112 1.00 0.00 C ATOM 296 C GLU A 19 -13.394 -16.271 -0.445 1.00 0.00 C ATOM 297 O GLU A 19 -13.084 -15.087 -0.301 1.00 0.00 O ATOM 298 CB GLU A 19 -15.723 -16.414 -1.290 1.00 0.00 C ATOM 299 CG GLU A 19 -17.162 -16.057 -0.869 1.00 0.00 C ATOM 300 CD GLU A 19 -18.113 -15.872 -2.045 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.779 -15.080 -2.949 1.00 0.00 O ATOM 302 OE2 GLU A 19 -19.206 -16.471 -1.956 1.00 0.00 O ATOM 0 H GLU A 19 -15.049 -15.125 1.204 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.831 -17.846 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.295 -15.573 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.755 -17.258 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.548 -16.844 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.143 -15.140 -0.280 1.00 0.00 H new ATOM 309 N THR A 20 -12.603 -17.178 -1.018 1.00 0.00 N ATOM 310 CA THR A 20 -11.208 -16.862 -1.372 1.00 0.00 C ATOM 311 C THR A 20 -11.104 -16.625 -2.874 1.00 0.00 C ATOM 312 O THR A 20 -10.859 -17.534 -3.668 1.00 0.00 O ATOM 313 CB THR A 20 -10.287 -17.991 -0.869 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.540 -18.163 0.530 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.806 -17.673 -1.074 1.00 0.00 C ATOM 0 H THR A 20 -12.894 -18.128 -1.247 1.00 0.00 H new ATOM 0 HA THR A 20 -10.882 -15.943 -0.885 1.00 0.00 H new ATOM 0 HB THR A 20 -10.502 -18.895 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.969 -18.878 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.201 -18.500 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.609 -17.527 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.550 -16.764 -0.530 1.00 0.00 H new ATOM 323 N LYS A 21 -11.431 -15.391 -3.229 1.00 0.00 N ATOM 324 CA LYS A 21 -11.365 -14.923 -4.625 1.00 0.00 C ATOM 325 C LYS A 21 -9.906 -14.727 -5.073 1.00 0.00 C ATOM 326 O LYS A 21 -8.979 -14.821 -4.271 1.00 0.00 O ATOM 327 CB LYS A 21 -12.198 -13.639 -4.771 1.00 0.00 C ATOM 328 CG LYS A 21 -13.694 -13.931 -4.578 1.00 0.00 C ATOM 329 CD LYS A 21 -14.468 -13.807 -5.888 1.00 0.00 C ATOM 330 CE LYS A 21 -15.369 -12.572 -5.852 1.00 0.00 C ATOM 331 NZ LYS A 21 -15.289 -11.855 -7.124 1.00 0.00 N ATOM 0 H LYS A 21 -11.749 -14.682 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.790 -15.680 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.870 -12.902 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.033 -13.203 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.819 -14.936 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.108 -13.239 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.773 -13.735 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.070 -14.701 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.399 -12.869 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.067 -11.916 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.905 -11.017 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.307 -11.556 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.598 -12.481 -7.895 1.00 0.00 H new ATOM 345 N ARG A 22 -9.728 -14.468 -6.364 1.00 0.00 N ATOM 346 CA ARG A 22 -8.398 -14.301 -6.977 1.00 0.00 C ATOM 347 C ARG A 22 -8.245 -12.863 -7.493 1.00 0.00 C ATOM 348 O ARG A 22 -8.747 -12.492 -8.557 1.00 0.00 O ATOM 349 CB ARG A 22 -8.207 -15.287 -8.143 1.00 0.00 C ATOM 350 CG ARG A 22 -8.305 -16.740 -7.684 1.00 0.00 C ATOM 351 CD ARG A 22 -9.044 -17.604 -8.707 1.00 0.00 C ATOM 352 NE ARG A 22 -9.961 -18.521 -8.013 1.00 0.00 N ATOM 353 CZ ARG A 22 -11.107 -18.185 -7.394 1.00 0.00 C ATOM 354 NH1 ARG A 22 -11.532 -16.934 -7.356 1.00 0.00 N ATOM 355 NH2 ARG A 22 -11.844 -19.118 -6.813 1.00 0.00 N ATOM 0 H ARG A 22 -10.499 -14.366 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.640 -14.505 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.961 -15.096 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.235 -15.118 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.304 -17.140 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.823 -16.786 -6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.601 -16.971 -9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.329 -18.171 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.703 -19.508 -8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.987 -16.197 -7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.405 -16.706 -6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.543 -20.092 -6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.713 -18.863 -6.344 1.00 0.00 H new ATOM 369 N LEU A 23 -7.613 -12.056 -6.663 1.00 0.00 N ATOM 370 CA LEU A 23 -7.318 -10.648 -6.979 1.00 0.00 C ATOM 371 C LEU A 23 -6.077 -10.532 -7.866 1.00 0.00 C ATOM 372 O LEU A 23 -4.958 -10.654 -7.394 1.00 0.00 O ATOM 373 CB LEU A 23 -7.168 -9.842 -5.684 1.00 0.00 C ATOM 374 CG LEU A 23 -8.222 -8.731 -5.607 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.641 -9.295 -5.421 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.904 -7.808 -4.435 1.00 0.00 C ATOM 0 H LEU A 23 -7.283 -12.348 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.152 -10.231 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.269 -10.505 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.170 -9.406 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.192 -8.185 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.356 -8.473 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.889 -9.941 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.685 -9.871 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.653 -7.018 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.912 -8.381 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.919 -7.364 -4.578 1.00 0.00 H new ATOM 388 N LEU A 24 -6.343 -10.441 -9.165 1.00 0.00 N ATOM 389 CA LEU A 24 -5.291 -10.251 -10.179 1.00 0.00 C ATOM 390 C LEU A 24 -4.990 -8.760 -10.359 1.00 0.00 C ATOM 391 O LEU A 24 -5.874 -7.940 -10.602 1.00 0.00 O ATOM 392 CB LEU A 24 -5.669 -11.042 -11.458 1.00 0.00 C ATOM 393 CG LEU A 24 -5.201 -10.533 -12.839 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.126 -9.441 -13.387 1.00 0.00 C ATOM 395 CD2 LEU A 24 -3.748 -10.085 -12.870 1.00 0.00 C ATOM 0 H LEU A 24 -7.285 -10.495 -9.551 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.337 -10.670 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.288 -12.056 -11.338 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.756 -11.112 -11.488 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.263 -11.399 -13.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.762 -9.110 -14.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.135 -9.839 -13.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.140 -8.596 -12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.494 -9.742 -13.873 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.603 -9.271 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.104 -10.921 -12.599 1.00 0.00 H new ATOM 407 N TYR A 25 -3.708 -8.484 -10.218 1.00 0.00 N ATOM 408 CA TYR A 25 -3.141 -7.132 -10.386 1.00 0.00 C ATOM 409 C TYR A 25 -2.108 -7.131 -11.513 1.00 0.00 C ATOM 410 O TYR A 25 -1.335 -8.060 -11.691 1.00 0.00 O ATOM 411 CB TYR A 25 -2.459 -6.699 -9.085 1.00 0.00 C ATOM 412 CG TYR A 25 -3.488 -6.269 -8.050 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.368 -7.200 -7.473 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.511 -4.900 -7.700 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.307 -6.758 -6.526 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.429 -4.476 -6.719 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.327 -5.395 -6.153 1.00 0.00 C ATOM 418 OH TYR A 25 -6.181 -4.986 -5.184 1.00 0.00 O ATOM 0 H TYR A 25 -3.011 -9.190 -9.981 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.946 -6.440 -10.633 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.863 -7.522 -8.691 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.773 -5.876 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.323 -8.242 -7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.842 -4.196 -8.173 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.007 -7.453 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.442 -3.444 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.102 -5.175 -5.459 1.00 0.00 H new ATOM 428 N ASN A 26 -2.085 -6.006 -12.217 1.00 0.00 N ATOM 429 CA ASN A 26 -1.113 -5.830 -13.298 1.00 0.00 C ATOM 430 C ASN A 26 0.076 -5.071 -12.713 1.00 0.00 C ATOM 431 O ASN A 26 -0.062 -3.919 -12.305 1.00 0.00 O ATOM 432 CB ASN A 26 -1.761 -5.044 -14.445 1.00 0.00 C ATOM 433 CG ASN A 26 -1.001 -5.229 -15.757 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.224 -6.154 -15.964 1.00 0.00 O ATOM 435 ND2 ASN A 26 -1.129 -4.282 -16.653 1.00 0.00 N ATOM 0 H ASN A 26 -2.712 -5.215 -12.067 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.782 -6.787 -13.700 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.793 -5.371 -14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.792 -3.985 -14.189 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.584 -4.318 -17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.773 -3.508 -16.489 1.00 0.00 H new ATOM 442 N GLN A 27 1.219 -5.739 -12.653 1.00 0.00 N ATOM 443 CA GLN A 27 2.476 -5.117 -12.185 1.00 0.00 C ATOM 444 C GLN A 27 2.716 -3.756 -12.833 1.00 0.00 C ATOM 445 O GLN A 27 3.199 -2.863 -12.166 1.00 0.00 O ATOM 446 CB GLN A 27 3.681 -6.018 -12.476 1.00 0.00 C ATOM 447 CG GLN A 27 5.043 -5.370 -12.202 1.00 0.00 C ATOM 448 CD GLN A 27 5.874 -5.133 -13.462 1.00 0.00 C ATOM 449 OE1 GLN A 27 5.590 -5.610 -14.553 1.00 0.00 O ATOM 450 NE2 GLN A 27 6.946 -4.395 -13.284 1.00 0.00 N ATOM 0 H GLN A 27 1.315 -6.718 -12.922 1.00 0.00 H new ATOM 0 HA GLN A 27 2.368 -4.982 -11.109 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.596 -6.922 -11.873 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.644 -6.326 -13.521 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.887 -4.417 -11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.607 -6.005 -11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.154 -4.012 -12.362 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.570 -4.205 -14.068 1.00 0.00 H new ATOM 459 N ASN A 28 2.379 -3.627 -14.121 1.00 0.00 N ATOM 460 CA ASN A 28 2.444 -2.330 -14.827 1.00 0.00 C ATOM 461 C ASN A 28 1.776 -1.222 -14.004 1.00 0.00 C ATOM 462 O ASN A 28 2.451 -0.324 -13.543 1.00 0.00 O ATOM 463 CB ASN A 28 1.783 -2.408 -16.205 1.00 0.00 C ATOM 464 CG ASN A 28 1.821 -1.047 -16.902 1.00 0.00 C ATOM 465 OD1 ASN A 28 1.116 -0.104 -16.551 1.00 0.00 O ATOM 466 ND2 ASN A 28 2.693 -0.916 -17.864 1.00 0.00 N ATOM 0 H ASN A 28 2.058 -4.402 -14.701 1.00 0.00 H new ATOM 0 HA ASN A 28 3.499 -2.092 -14.959 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.295 -3.150 -16.818 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.750 -2.739 -16.100 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.798 -0.019 -18.338 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.269 -1.710 -18.141 1.00 0.00 H new ATOM 473 N LYS A 29 0.542 -1.508 -13.614 1.00 0.00 N ATOM 474 CA LYS A 29 -0.236 -0.613 -12.746 1.00 0.00 C ATOM 475 C LYS A 29 0.356 -0.410 -11.366 1.00 0.00 C ATOM 476 O LYS A 29 0.370 0.710 -10.896 1.00 0.00 O ATOM 477 CB LYS A 29 -1.677 -1.121 -12.713 1.00 0.00 C ATOM 478 CG LYS A 29 -2.536 -0.257 -13.640 1.00 0.00 C ATOM 479 CD LYS A 29 -2.069 -0.062 -15.083 1.00 0.00 C ATOM 480 CE LYS A 29 -1.827 1.426 -15.308 1.00 0.00 C ATOM 481 NZ LYS A 29 -1.396 1.624 -16.699 1.00 0.00 N ATOM 0 H LYS A 29 0.048 -2.359 -13.884 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.208 0.390 -13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.715 -2.164 -13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.066 -1.082 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.535 -0.691 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.630 0.729 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.156 -0.628 -15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.820 -0.435 -15.779 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.737 1.992 -15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.066 1.794 -14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.226 2.636 -16.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.519 1.092 -16.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.138 1.284 -17.344 1.00 0.00 H new ATOM 495 N ALA A 30 1.105 -1.392 -10.889 1.00 0.00 N ATOM 496 CA ALA A 30 1.820 -1.331 -9.603 1.00 0.00 C ATOM 497 C ALA A 30 3.125 -0.513 -9.721 1.00 0.00 C ATOM 498 O ALA A 30 3.126 0.625 -9.258 1.00 0.00 O ATOM 499 CB ALA A 30 2.076 -2.753 -9.123 1.00 0.00 C ATOM 0 H ALA A 30 1.242 -2.273 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 30 1.207 -0.813 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.605 -2.726 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.125 -3.271 -8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.681 -3.282 -9.859 1.00 0.00 H new ATOM 505 N GLU A 31 4.063 -0.984 -10.539 1.00 0.00 N ATOM 506 CA GLU A 31 5.326 -0.290 -10.877 1.00 0.00 C ATOM 507 C GLU A 31 5.090 1.165 -11.341 1.00 0.00 C ATOM 508 O GLU A 31 5.895 2.033 -11.072 1.00 0.00 O ATOM 509 CB GLU A 31 6.162 -1.075 -11.912 1.00 0.00 C ATOM 510 CG GLU A 31 5.589 -1.131 -13.333 1.00 0.00 C ATOM 511 CD GLU A 31 6.217 -0.095 -14.287 1.00 0.00 C ATOM 512 OE1 GLU A 31 7.419 -0.269 -14.560 1.00 0.00 O ATOM 513 OE2 GLU A 31 5.464 0.756 -14.793 1.00 0.00 O ATOM 0 H GLU A 31 3.973 -1.887 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 31 5.904 -0.246 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.156 -0.631 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.286 -2.096 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.744 -2.130 -13.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.512 -0.968 -13.289 1.00 0.00 H new ATOM 520 N SER A 32 3.938 1.405 -11.950 1.00 0.00 N ATOM 521 CA SER A 32 3.493 2.750 -12.366 1.00 0.00 C ATOM 522 C SER A 32 2.844 3.541 -11.219 1.00 0.00 C ATOM 523 O SER A 32 3.327 4.614 -10.906 1.00 0.00 O ATOM 524 CB SER A 32 2.525 2.677 -13.542 1.00 0.00 C ATOM 525 OG SER A 32 1.982 3.970 -13.816 1.00 0.00 O ATOM 0 H SER A 32 3.269 0.669 -12.177 1.00 0.00 H new ATOM 0 HA SER A 32 4.395 3.280 -12.672 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.041 2.297 -14.424 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.720 1.977 -13.317 1.00 0.00 H new ATOM 0 HG SER A 32 1.363 3.911 -14.574 1.00 0.00 H new ATOM 531 N ASN A 33 1.844 2.983 -10.538 1.00 0.00 N ATOM 532 CA ASN A 33 1.209 3.592 -9.344 1.00 0.00 C ATOM 533 C ASN A 33 2.256 4.040 -8.310 1.00 0.00 C ATOM 534 O ASN A 33 2.192 5.150 -7.804 1.00 0.00 O ATOM 535 CB ASN A 33 0.243 2.644 -8.619 1.00 0.00 C ATOM 536 CG ASN A 33 -1.177 2.731 -9.159 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.754 3.780 -9.359 1.00 0.00 O ATOM 538 ND2 ASN A 33 -1.800 1.592 -9.380 1.00 0.00 N ATOM 0 H ASN A 33 1.438 2.083 -10.794 1.00 0.00 H new ATOM 0 HA ASN A 33 0.654 4.444 -9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.603 1.620 -8.717 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.238 2.880 -7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.763 1.594 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.320 0.708 -9.214 1.00 0.00 H new ATOM 545 N SER A 34 3.280 3.213 -8.168 1.00 0.00 N ATOM 546 CA SER A 34 4.439 3.497 -7.320 1.00 0.00 C ATOM 547 C SER A 34 5.293 4.630 -7.865 1.00 0.00 C ATOM 548 O SER A 34 5.381 5.648 -7.191 1.00 0.00 O ATOM 549 CB SER A 34 5.273 2.236 -7.128 1.00 0.00 C ATOM 550 OG SER A 34 5.631 1.566 -8.333 1.00 0.00 O ATOM 0 H SER A 34 3.335 2.312 -8.643 1.00 0.00 H new ATOM 0 HA SER A 34 4.061 3.826 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.184 2.499 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.718 1.543 -6.495 1.00 0.00 H new ATOM 0 HG SER A 34 4.849 1.096 -8.691 1.00 0.00 H new ATOM 556 N HIS A 35 5.552 4.602 -9.169 1.00 0.00 N ATOM 557 CA HIS A 35 6.310 5.648 -9.882 1.00 0.00 C ATOM 558 C HIS A 35 5.511 6.957 -10.111 1.00 0.00 C ATOM 559 O HIS A 35 6.023 7.928 -10.650 1.00 0.00 O ATOM 560 CB HIS A 35 6.811 5.099 -11.227 1.00 0.00 C ATOM 561 CG HIS A 35 7.879 3.985 -11.131 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.437 3.399 -12.181 1.00 0.00 N ATOM 563 CD2 HIS A 35 8.276 3.311 -10.054 1.00 0.00 C ATOM 564 CE1 HIS A 35 9.165 2.361 -11.765 1.00 0.00 C ATOM 565 NE2 HIS A 35 9.050 2.307 -10.443 1.00 0.00 N ATOM 0 H HIS A 35 5.240 3.845 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 35 7.149 5.913 -9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.957 4.713 -11.784 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.223 5.925 -11.807 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.012 3.543 -9.033 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.740 1.691 -12.387 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.482 1.613 -9.833 1.00 0.00 H new ATOM 574 N HIS A 36 4.261 6.947 -9.651 1.00 0.00 N ATOM 575 CA HIS A 36 3.340 8.096 -9.681 1.00 0.00 C ATOM 576 C HIS A 36 3.083 8.651 -8.265 1.00 0.00 C ATOM 577 O HIS A 36 2.808 9.838 -8.088 1.00 0.00 O ATOM 578 CB HIS A 36 2.040 7.663 -10.358 1.00 0.00 C ATOM 579 CG HIS A 36 1.687 8.591 -11.533 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.755 9.542 -11.509 1.00 0.00 N ATOM 581 CD2 HIS A 36 2.230 8.590 -12.738 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.723 10.128 -12.699 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.634 9.534 -13.459 1.00 0.00 N ATOM 0 H HIS A 36 3.842 6.116 -9.233 1.00 0.00 H new ATOM 0 HA HIS A 36 3.792 8.907 -10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.138 6.639 -10.717 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.229 7.669 -9.630 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.020 7.936 -13.077 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.075 10.939 -12.995 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.842 9.763 -14.431 1.00 0.00 H new ATOM 592 N ALA A 37 3.237 7.775 -7.274 1.00 0.00 N ATOM 593 CA ALA A 37 3.136 8.113 -5.846 1.00 0.00 C ATOM 594 C ALA A 37 4.448 8.733 -5.321 1.00 0.00 C ATOM 595 O ALA A 37 5.530 8.353 -5.787 1.00 0.00 O ATOM 596 CB ALA A 37 2.826 6.824 -5.079 1.00 0.00 C ATOM 0 H ALA A 37 3.440 6.789 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 37 2.347 8.851 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.745 7.044 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.885 6.406 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.627 6.103 -5.240 1.00 0.00 H new ATOM 602 N PRO A 38 4.364 9.664 -4.369 1.00 0.00 N ATOM 603 CA PRO A 38 5.531 10.326 -3.779 1.00 0.00 C ATOM 604 C PRO A 38 6.226 9.347 -2.845 1.00 0.00 C ATOM 605 O PRO A 38 5.618 8.558 -2.138 1.00 0.00 O ATOM 606 CB PRO A 38 4.991 11.540 -3.027 1.00 0.00 C ATOM 607 CG PRO A 38 3.549 11.184 -2.670 1.00 0.00 C ATOM 608 CD PRO A 38 3.139 10.164 -3.726 1.00 0.00 C ATOM 0 HA PRO A 38 6.263 10.643 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.579 11.742 -2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.033 12.437 -3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.480 10.766 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.905 12.063 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.585 9.344 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.480 10.622 -4.464 1.00 0.00 H new ATOM 616 N LEU A 39 7.542 9.449 -2.854 1.00 0.00 N ATOM 617 CA LEU A 39 8.392 8.583 -2.025 1.00 0.00 C ATOM 618 C LEU A 39 8.596 9.178 -0.636 1.00 0.00 C ATOM 619 O LEU A 39 9.530 9.936 -0.393 1.00 0.00 O ATOM 620 CB LEU A 39 9.708 8.451 -2.759 1.00 0.00 C ATOM 621 CG LEU A 39 9.659 7.363 -3.818 1.00 0.00 C ATOM 622 CD1 LEU A 39 10.846 7.578 -4.743 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.653 5.963 -3.184 1.00 0.00 C ATOM 0 H LEU A 39 8.056 10.121 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 39 7.927 7.609 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.959 9.403 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.501 8.228 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 39 8.734 7.424 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.845 6.813 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.774 8.563 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.771 7.512 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.618 5.208 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.558 5.828 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.779 5.859 -2.541 1.00 0.00 H new ATOM 635 N SER A 40 7.595 8.925 0.194 1.00 0.00 N ATOM 636 CA SER A 40 7.591 9.450 1.566 1.00 0.00 C ATOM 637 C SER A 40 6.567 8.703 2.434 1.00 0.00 C ATOM 638 O SER A 40 5.519 8.308 1.930 1.00 0.00 O ATOM 639 CB SER A 40 7.299 10.960 1.574 1.00 0.00 C ATOM 640 OG SER A 40 5.913 11.225 1.824 1.00 0.00 O ATOM 0 H SER A 40 6.778 8.365 -0.049 1.00 0.00 H new ATOM 0 HA SER A 40 8.583 9.289 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.907 11.445 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.586 11.392 0.616 1.00 0.00 H new ATOM 0 HG SER A 40 5.572 11.849 1.149 1.00 0.00 H new ATOM 646 N ASP A 41 6.949 8.498 3.690 1.00 0.00 N ATOM 647 CA ASP A 41 6.057 7.886 4.688 1.00 0.00 C ATOM 648 C ASP A 41 5.149 8.959 5.303 1.00 0.00 C ATOM 649 O ASP A 41 5.644 9.985 5.768 1.00 0.00 O ATOM 650 CB ASP A 41 6.883 7.241 5.804 1.00 0.00 C ATOM 651 CG ASP A 41 6.053 6.583 6.902 1.00 0.00 C ATOM 652 OD1 ASP A 41 4.929 6.120 6.592 1.00 0.00 O ATOM 653 OD2 ASP A 41 6.624 6.350 7.993 1.00 0.00 O ATOM 0 H ASP A 41 7.871 8.745 4.049 1.00 0.00 H new ATOM 0 HA ASP A 41 5.451 7.127 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.542 6.492 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.521 8.002 6.254 1.00 0.00 H new ATOM 658 N GLY A 42 3.869 8.605 5.362 1.00 0.00 N ATOM 659 CA GLY A 42 2.792 9.411 5.978 1.00 0.00 C ATOM 660 C GLY A 42 2.991 10.916 5.758 1.00 0.00 C ATOM 661 O GLY A 42 3.352 11.630 6.683 1.00 0.00 O ATOM 0 H GLY A 42 3.531 7.725 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.831 9.109 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.754 9.205 7.048 1.00 0.00 H new ATOM 665 N LYS A 43 2.922 11.304 4.484 1.00 0.00 N ATOM 666 CA LYS A 43 3.110 12.709 4.061 1.00 0.00 C ATOM 667 C LYS A 43 2.247 13.061 2.842 1.00 0.00 C ATOM 668 O LYS A 43 2.540 13.946 2.039 1.00 0.00 O ATOM 669 CB LYS A 43 4.579 12.958 3.726 1.00 0.00 C ATOM 670 CG LYS A 43 5.171 14.169 4.430 1.00 0.00 C ATOM 671 CD LYS A 43 5.377 13.839 5.919 1.00 0.00 C ATOM 672 CE LYS A 43 6.119 14.931 6.678 1.00 0.00 C ATOM 673 NZ LYS A 43 5.211 16.030 7.060 1.00 0.00 N ATOM 0 H LYS A 43 2.735 10.663 3.713 1.00 0.00 H new ATOM 0 HA LYS A 43 2.799 13.344 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.158 12.074 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.679 13.090 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.121 14.443 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.507 15.027 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.406 13.676 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.932 12.905 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.578 14.508 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.927 15.322 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.745 16.758 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.793 16.448 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.454 15.659 7.670 1.00 0.00 H new ATOM 687 N THR A 44 1.119 12.369 2.779 1.00 0.00 N ATOM 688 CA THR A 44 0.184 12.531 1.668 1.00 0.00 C ATOM 689 C THR A 44 -1.222 12.438 2.256 1.00 0.00 C ATOM 690 O THR A 44 -1.405 12.088 3.417 1.00 0.00 O ATOM 691 CB THR A 44 0.419 11.460 0.608 1.00 0.00 C ATOM 692 OG1 THR A 44 1.763 10.958 0.709 1.00 0.00 O ATOM 693 CG2 THR A 44 0.266 12.035 -0.793 1.00 0.00 C ATOM 0 H THR A 44 0.826 11.690 3.482 1.00 0.00 H new ATOM 0 HA THR A 44 0.323 13.492 1.173 1.00 0.00 H new ATOM 0 HB THR A 44 -0.315 10.671 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.783 10.019 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.439 11.250 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.742 12.432 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.991 12.835 -0.939 1.00 0.00 H new ATOM 701 N GLY A 45 -2.179 12.791 1.409 1.00 0.00 N ATOM 702 CA GLY A 45 -3.588 12.835 1.789 1.00 0.00 C ATOM 703 C GLY A 45 -4.070 11.567 2.489 1.00 0.00 C ATOM 704 O GLY A 45 -4.229 11.525 3.696 1.00 0.00 O ATOM 0 H GLY A 45 -2.003 13.055 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.752 13.688 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.192 13.000 0.897 1.00 0.00 H new ATOM 708 N SER A 46 -4.127 10.508 1.700 1.00 0.00 N ATOM 709 CA SER A 46 -4.467 9.170 2.222 1.00 0.00 C ATOM 710 C SER A 46 -3.479 8.615 3.250 1.00 0.00 C ATOM 711 O SER A 46 -3.708 7.522 3.783 1.00 0.00 O ATOM 712 CB SER A 46 -4.599 8.158 1.108 1.00 0.00 C ATOM 713 OG SER A 46 -3.323 7.769 0.617 1.00 0.00 O ATOM 0 H SER A 46 -3.945 10.535 0.697 1.00 0.00 H new ATOM 0 HA SER A 46 -5.420 9.322 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.135 7.281 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.191 8.581 0.296 1.00 0.00 H new ATOM 0 HG SER A 46 -2.863 8.551 0.247 1.00 0.00 H new ATOM 719 N SER A 47 -2.332 9.298 3.359 1.00 0.00 N ATOM 720 CA SER A 47 -1.163 8.977 4.207 1.00 0.00 C ATOM 721 C SER A 47 -0.241 7.969 3.503 1.00 0.00 C ATOM 722 O SER A 47 0.830 7.597 3.980 1.00 0.00 O ATOM 723 CB SER A 47 -1.636 8.483 5.576 1.00 0.00 C ATOM 724 OG SER A 47 -0.645 8.536 6.585 1.00 0.00 O ATOM 0 H SER A 47 -2.180 10.151 2.821 1.00 0.00 H new ATOM 0 HA SER A 47 -0.572 9.879 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.491 9.081 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.985 7.455 5.478 1.00 0.00 H new ATOM 0 HG SER A 47 -1.019 8.207 7.429 1.00 0.00 H new ATOM 730 N TYR A 48 -0.584 7.716 2.236 1.00 0.00 N ATOM 731 CA TYR A 48 0.113 6.773 1.361 1.00 0.00 C ATOM 732 C TYR A 48 1.032 7.488 0.363 1.00 0.00 C ATOM 733 O TYR A 48 0.674 8.538 -0.175 1.00 0.00 O ATOM 734 CB TYR A 48 -0.914 5.886 0.662 1.00 0.00 C ATOM 735 CG TYR A 48 -1.597 4.937 1.648 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.914 3.811 2.155 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.949 5.168 1.956 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.618 2.887 2.949 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.652 4.266 2.761 1.00 0.00 C ATOM 740 CZ TYR A 48 -2.972 3.126 3.252 1.00 0.00 C ATOM 741 OH TYR A 48 -3.634 2.227 4.009 1.00 0.00 O ATOM 0 H TYR A 48 -1.374 8.174 1.781 1.00 0.00 H new ATOM 0 HA TYR A 48 0.766 6.144 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.664 6.510 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.424 5.308 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.133 3.661 1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.447 6.045 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.124 2.002 3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.691 4.436 3.003 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.093 2.690 4.741 1.00 0.00 H new ATOM 751 N PRO A 49 2.142 6.837 -0.006 1.00 0.00 N ATOM 752 CA PRO A 49 2.521 5.495 0.475 1.00 0.00 C ATOM 753 C PRO A 49 3.164 5.534 1.861 1.00 0.00 C ATOM 754 O PRO A 49 3.690 6.552 2.303 1.00 0.00 O ATOM 755 CB PRO A 49 3.382 4.955 -0.645 1.00 0.00 C ATOM 756 CG PRO A 49 4.064 6.183 -1.232 1.00 0.00 C ATOM 757 CD PRO A 49 3.033 7.300 -1.074 1.00 0.00 C ATOM 0 HA PRO A 49 1.677 4.830 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.112 4.236 -0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.781 4.440 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.988 6.416 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.327 6.030 -2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.510 8.244 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.485 7.467 -2.002 1.00 0.00 H new ATOM 765 N HIS A 50 2.744 4.553 2.647 1.00 0.00 N ATOM 766 CA HIS A 50 3.226 4.469 4.029 1.00 0.00 C ATOM 767 C HIS A 50 4.429 3.532 4.075 1.00 0.00 C ATOM 768 O HIS A 50 4.566 2.589 3.283 1.00 0.00 O ATOM 769 CB HIS A 50 2.110 4.051 4.983 1.00 0.00 C ATOM 770 CG HIS A 50 1.770 2.566 4.938 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.766 1.749 5.988 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.306 1.885 3.899 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.255 0.593 5.615 1.00 0.00 C ATOM 774 NE2 HIS A 50 0.970 0.674 4.328 1.00 0.00 N ATOM 0 H HIS A 50 2.090 3.821 2.368 1.00 0.00 H new ATOM 0 HA HIS A 50 3.547 5.453 4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.400 4.315 6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.213 4.624 4.748 1.00 0.00 H new ATOM 0 HD1 HIS A 50 2.102 1.979 6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.217 2.250 2.886 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.097 -0.267 6.249 1.00 0.00 H new ATOM 783 N TRP A 51 5.342 3.874 4.982 1.00 0.00 N ATOM 784 CA TRP A 51 6.537 3.057 5.231 1.00 0.00 C ATOM 785 C TRP A 51 6.089 1.684 5.703 1.00 0.00 C ATOM 786 O TRP A 51 5.374 1.504 6.688 1.00 0.00 O ATOM 787 CB TRP A 51 7.462 3.706 6.253 1.00 0.00 C ATOM 788 CG TRP A 51 8.545 2.775 6.803 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.541 2.222 6.109 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.673 2.368 8.129 1.00 0.00 C ATOM 791 NE1 TRP A 51 10.301 1.499 6.922 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.816 1.553 8.153 1.00 0.00 C ATOM 793 CE3 TRP A 51 8.034 2.775 9.320 1.00 0.00 C ATOM 794 CZ2 TRP A 51 10.340 1.105 9.393 1.00 0.00 C ATOM 795 CZ3 TRP A 51 8.588 2.370 10.551 1.00 0.00 C ATOM 796 CH2 TRP A 51 9.731 1.533 10.583 1.00 0.00 C ATOM 0 H TRP A 51 5.280 4.712 5.560 1.00 0.00 H new ATOM 0 HA TRP A 51 7.108 2.968 4.307 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.941 4.571 5.794 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.862 4.078 7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.704 2.344 5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.133 0.980 6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.142 3.382 9.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.194 0.445 9.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.138 2.700 11.476 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.138 1.221 11.533 1.00 0.00 H new ATOM 807 N PHE A 52 6.578 0.727 4.930 1.00 0.00 N ATOM 808 CA PHE A 52 6.312 -0.682 5.181 1.00 0.00 C ATOM 809 C PHE A 52 7.479 -1.214 5.997 1.00 0.00 C ATOM 810 O PHE A 52 8.485 -1.689 5.462 1.00 0.00 O ATOM 811 CB PHE A 52 6.190 -1.416 3.849 1.00 0.00 C ATOM 812 CG PHE A 52 5.709 -2.851 4.058 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.650 -3.125 4.954 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.314 -3.890 3.315 1.00 0.00 C ATOM 815 CE1 PHE A 52 4.166 -4.439 5.101 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.854 -5.209 3.480 1.00 0.00 C ATOM 817 CZ PHE A 52 4.782 -5.465 4.369 1.00 0.00 C ATOM 0 H PHE A 52 7.167 0.903 4.116 1.00 0.00 H new ATOM 0 HA PHE A 52 5.379 -0.829 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.493 -0.886 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.155 -1.422 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.210 -2.323 5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.120 -3.674 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.339 -4.652 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.314 -6.019 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.429 -6.479 4.487 1.00 0.00 H new ATOM 827 N THR A 53 7.313 -1.054 7.311 1.00 0.00 N ATOM 828 CA THR A 53 8.237 -1.594 8.334 1.00 0.00 C ATOM 829 C THR A 53 8.766 -2.980 7.918 1.00 0.00 C ATOM 830 O THR A 53 9.950 -3.247 8.065 1.00 0.00 O ATOM 831 CB THR A 53 7.562 -1.723 9.715 1.00 0.00 C ATOM 832 OG1 THR A 53 6.545 -2.721 9.685 1.00 0.00 O ATOM 833 CG2 THR A 53 6.875 -0.444 10.196 1.00 0.00 C ATOM 0 H THR A 53 6.526 -0.541 7.709 1.00 0.00 H new ATOM 0 HA THR A 53 9.061 -0.885 8.409 1.00 0.00 H new ATOM 0 HB THR A 53 8.379 -1.970 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.129 -2.791 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.425 -0.618 11.174 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.610 0.357 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.099 -0.158 9.486 1.00 0.00 H new ATOM 841 N ASN A 54 7.870 -3.776 7.329 1.00 0.00 N ATOM 842 CA ASN A 54 8.116 -5.157 6.872 1.00 0.00 C ATOM 843 C ASN A 54 8.610 -6.014 8.059 1.00 0.00 C ATOM 844 O ASN A 54 9.385 -6.950 7.921 1.00 0.00 O ATOM 845 CB ASN A 54 9.110 -5.106 5.691 1.00 0.00 C ATOM 846 CG ASN A 54 9.363 -6.482 5.054 1.00 0.00 C ATOM 847 OD1 ASN A 54 8.581 -7.412 5.145 1.00 0.00 O ATOM 848 ND2 ASN A 54 10.461 -6.580 4.340 1.00 0.00 N ATOM 0 H ASN A 54 6.914 -3.469 7.148 1.00 0.00 H new ATOM 0 HA ASN A 54 7.203 -5.632 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.727 -4.426 4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.057 -4.694 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.673 -7.448 3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.101 -5.788 4.278 1.00 0.00 H new ATOM 855 N GLY A 55 8.256 -5.549 9.254 1.00 0.00 N ATOM 856 CA GLY A 55 8.708 -6.147 10.519 1.00 0.00 C ATOM 857 C GLY A 55 9.815 -5.309 11.171 1.00 0.00 C ATOM 858 O GLY A 55 9.920 -5.294 12.388 1.00 0.00 O ATOM 0 H GLY A 55 7.644 -4.742 9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.864 -6.234 11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.075 -7.157 10.335 1.00 0.00 H new ATOM 862 N TYR A 56 10.691 -4.699 10.375 1.00 0.00 N ATOM 863 CA TYR A 56 11.796 -3.866 10.890 1.00 0.00 C ATOM 864 C TYR A 56 11.292 -2.776 11.837 1.00 0.00 C ATOM 865 O TYR A 56 10.180 -2.263 11.685 1.00 0.00 O ATOM 866 CB TYR A 56 12.540 -3.252 9.708 1.00 0.00 C ATOM 867 CG TYR A 56 13.160 -4.350 8.851 1.00 0.00 C ATOM 868 CD1 TYR A 56 14.452 -4.778 9.216 1.00 0.00 C ATOM 869 CD2 TYR A 56 12.550 -4.787 7.648 1.00 0.00 C ATOM 870 CE1 TYR A 56 15.188 -5.584 8.329 1.00 0.00 C ATOM 871 CE2 TYR A 56 13.291 -5.588 6.749 1.00 0.00 C ATOM 872 CZ TYR A 56 14.606 -5.949 7.105 1.00 0.00 C ATOM 873 OH TYR A 56 15.391 -6.650 6.247 1.00 0.00 O ATOM 0 H TYR A 56 10.662 -4.763 9.357 1.00 0.00 H new ATOM 0 HA TYR A 56 12.472 -4.497 11.467 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.854 -2.655 9.107 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.318 -2.578 10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.873 -4.490 10.168 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.531 -4.511 7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.183 -5.916 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.861 -5.915 5.814 1.00 0.00 H new ATOM 0 HH TYR A 56 15.714 -6.055 5.538 1.00 0.00 H new ATOM 883 N ASP A 57 12.134 -2.437 12.803 1.00 0.00 N ATOM 884 CA ASP A 57 11.814 -1.365 13.766 1.00 0.00 C ATOM 885 C ASP A 57 12.076 0.053 13.214 1.00 0.00 C ATOM 886 O ASP A 57 11.613 1.045 13.772 1.00 0.00 O ATOM 887 CB ASP A 57 12.590 -1.570 15.073 1.00 0.00 C ATOM 888 CG ASP A 57 11.686 -1.931 16.258 1.00 0.00 C ATOM 889 OD1 ASP A 57 10.482 -1.589 16.230 1.00 0.00 O ATOM 890 OD2 ASP A 57 12.234 -2.558 17.198 1.00 0.00 O ATOM 0 H ASP A 57 13.041 -2.879 12.950 1.00 0.00 H new ATOM 0 HA ASP A 57 10.743 -1.435 13.955 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.327 -2.361 14.931 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.141 -0.660 15.308 1.00 0.00 H new ATOM 895 N GLY A 58 12.873 0.081 12.153 1.00 0.00 N ATOM 896 CA GLY A 58 13.321 1.314 11.472 1.00 0.00 C ATOM 897 C GLY A 58 14.836 1.497 11.497 1.00 0.00 C ATOM 898 O GLY A 58 15.347 2.606 11.629 1.00 0.00 O ATOM 0 H GLY A 58 13.241 -0.768 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.981 1.294 10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.849 2.175 11.946 1.00 0.00 H new ATOM 1029 N THR A 67 7.988 -11.246 10.977 1.00 0.00 N ATOM 1030 CA THR A 67 7.940 -12.044 9.732 1.00 0.00 C ATOM 1031 C THR A 67 8.087 -11.182 8.464 1.00 0.00 C ATOM 1032 O THR A 67 7.099 -10.754 7.857 1.00 0.00 O ATOM 1033 CB THR A 67 6.697 -12.954 9.743 1.00 0.00 C ATOM 1034 OG1 THR A 67 6.819 -13.877 8.668 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.351 -12.223 9.714 1.00 0.00 C ATOM 0 HA THR A 67 8.812 -12.697 9.699 1.00 0.00 H new ATOM 0 HB THR A 67 6.680 -13.469 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.038 -14.469 8.655 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.541 -12.952 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.269 -11.577 10.588 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.284 -11.619 8.809 1.00 0.00 H new ATOM 1043 N PRO A 68 9.330 -10.802 8.139 1.00 0.00 N ATOM 1044 CA PRO A 68 9.592 -9.970 6.952 1.00 0.00 C ATOM 1045 C PRO A 68 9.403 -10.795 5.682 1.00 0.00 C ATOM 1046 O PRO A 68 10.001 -11.850 5.534 1.00 0.00 O ATOM 1047 CB PRO A 68 11.020 -9.450 7.120 1.00 0.00 C ATOM 1048 CG PRO A 68 11.708 -10.457 8.039 1.00 0.00 C ATOM 1049 CD PRO A 68 10.583 -11.096 8.869 1.00 0.00 C ATOM 0 HA PRO A 68 8.900 -9.133 6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.530 -9.382 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.026 -8.451 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.246 -11.210 7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.439 -9.966 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.734 -12.171 8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.556 -10.681 9.877 1.00 0.00 H new ATOM 1057 N ILE A 69 8.483 -10.320 4.840 1.00 0.00 N ATOM 1058 CA ILE A 69 8.214 -10.962 3.536 1.00 0.00 C ATOM 1059 C ILE A 69 9.530 -11.075 2.761 1.00 0.00 C ATOM 1060 O ILE A 69 10.134 -10.074 2.370 1.00 0.00 O ATOM 1061 CB ILE A 69 7.096 -10.251 2.740 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.765 -10.499 3.484 1.00 0.00 C ATOM 1063 CG2 ILE A 69 7.048 -10.711 1.274 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.550 -9.817 2.859 1.00 0.00 C ATOM 0 H ILE A 69 7.910 -9.498 5.029 1.00 0.00 H new ATOM 0 HA ILE A 69 7.825 -11.966 3.706 1.00 0.00 H new ATOM 0 HB ILE A 69 7.293 -9.180 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.581 -11.573 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.869 -10.154 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.248 -10.185 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.000 -10.490 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.862 -11.784 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.661 -10.046 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.706 -8.738 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.414 -10.179 1.840 1.00 0.00 H new ATOM 1076 N LYS A 70 9.970 -12.312 2.617 1.00 0.00 N ATOM 1077 CA LYS A 70 11.195 -12.606 1.869 1.00 0.00 C ATOM 1078 C LYS A 70 10.835 -12.756 0.390 1.00 0.00 C ATOM 1079 O LYS A 70 10.396 -13.796 -0.099 1.00 0.00 O ATOM 1080 CB LYS A 70 11.908 -13.844 2.438 1.00 0.00 C ATOM 1081 CG LYS A 70 13.248 -14.076 1.719 1.00 0.00 C ATOM 1082 CD LYS A 70 14.259 -14.638 2.712 1.00 0.00 C ATOM 1083 CE LYS A 70 14.918 -15.926 2.215 1.00 0.00 C ATOM 1084 NZ LYS A 70 16.126 -15.645 1.415 1.00 0.00 N ATOM 0 H LYS A 70 9.504 -13.132 3.004 1.00 0.00 H new ATOM 0 HA LYS A 70 11.905 -11.785 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.080 -13.712 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.271 -14.721 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.113 -14.768 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.615 -13.140 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.029 -13.891 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.761 -14.832 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.183 -16.552 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.206 -16.491 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.546 -16.541 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.869 -15.068 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.815 -15.128 1.997 1.00 0.00 H new ATOM 1098 N PHE A 71 11.027 -11.624 -0.277 1.00 0.00 N ATOM 1099 CA PHE A 71 10.794 -11.512 -1.728 1.00 0.00 C ATOM 1100 C PHE A 71 11.800 -12.347 -2.532 1.00 0.00 C ATOM 1101 O PHE A 71 11.582 -12.639 -3.702 1.00 0.00 O ATOM 1102 CB PHE A 71 10.896 -10.043 -2.118 1.00 0.00 C ATOM 1103 CG PHE A 71 9.945 -9.127 -1.335 1.00 0.00 C ATOM 1104 CD1 PHE A 71 10.387 -8.529 -0.141 1.00 0.00 C ATOM 1105 CD2 PHE A 71 8.660 -8.853 -1.861 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.536 -7.653 0.567 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.795 -7.981 -1.153 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.242 -7.398 0.053 1.00 0.00 C ATOM 0 H PHE A 71 11.346 -10.759 0.160 1.00 0.00 H new ATOM 0 HA PHE A 71 9.802 -11.900 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.921 -9.706 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.686 -9.944 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.378 -8.740 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.342 -9.303 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 71 9.866 -7.186 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.807 -7.765 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.580 -6.741 0.597 1.00 0.00 H new ATOM 1118 N GLY A 72 12.947 -12.592 -1.895 1.00 0.00 N ATOM 1119 CA GLY A 72 14.080 -13.337 -2.474 1.00 0.00 C ATOM 1120 C GLY A 72 15.042 -12.404 -3.232 1.00 0.00 C ATOM 1121 O GLY A 72 15.795 -12.837 -4.106 1.00 0.00 O ATOM 0 H GLY A 72 13.123 -12.274 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.621 -13.852 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.704 -14.103 -3.153 1.00 0.00 H new ATOM 1125 N LYS A 73 15.038 -11.138 -2.838 1.00 0.00 N ATOM 1126 CA LYS A 73 15.960 -10.128 -3.368 1.00 0.00 C ATOM 1127 C LYS A 73 17.102 -9.870 -2.363 1.00 0.00 C ATOM 1128 O LYS A 73 17.206 -10.538 -1.338 1.00 0.00 O ATOM 1129 CB LYS A 73 15.143 -8.862 -3.658 1.00 0.00 C ATOM 1130 CG LYS A 73 14.757 -8.664 -5.122 1.00 0.00 C ATOM 1131 CD LYS A 73 15.820 -7.894 -5.910 1.00 0.00 C ATOM 1132 CE LYS A 73 15.220 -7.373 -7.210 1.00 0.00 C ATOM 1133 NZ LYS A 73 16.260 -7.143 -8.219 1.00 0.00 N ATOM 0 H LYS A 73 14.392 -10.775 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 73 16.431 -10.468 -4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.233 -8.890 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.715 -7.995 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.598 -9.637 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.810 -8.127 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.197 -7.063 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.669 -8.543 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.492 -8.090 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.683 -6.444 -7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.823 -6.789 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.940 -6.441 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.755 -8.036 -8.417 1.00 0.00 H new ATOM 1147 N SER A 74 17.874 -8.831 -2.660 1.00 0.00 N ATOM 1148 CA SER A 74 19.037 -8.420 -1.853 1.00 0.00 C ATOM 1149 C SER A 74 18.880 -7.003 -1.288 1.00 0.00 C ATOM 1150 O SER A 74 18.732 -6.845 -0.084 1.00 0.00 O ATOM 1151 CB SER A 74 20.335 -8.500 -2.646 1.00 0.00 C ATOM 1152 OG SER A 74 21.084 -9.628 -2.186 1.00 0.00 O ATOM 0 H SER A 74 17.716 -8.238 -3.475 1.00 0.00 H new ATOM 0 HA SER A 74 19.084 -9.124 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.122 -8.596 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.913 -7.585 -2.518 1.00 0.00 H new ATOM 0 HG SER A 74 21.922 -9.692 -2.690 1.00 0.00 H new ATOM 1158 N ASP A 75 18.614 -6.068 -2.193 1.00 0.00 N ATOM 1159 CA ASP A 75 18.333 -4.655 -1.846 1.00 0.00 C ATOM 1160 C ASP A 75 16.926 -4.458 -1.275 1.00 0.00 C ATOM 1161 O ASP A 75 16.694 -3.607 -0.427 1.00 0.00 O ATOM 1162 CB ASP A 75 18.545 -3.732 -3.048 1.00 0.00 C ATOM 1163 CG ASP A 75 20.023 -3.441 -3.368 1.00 0.00 C ATOM 1164 OD1 ASP A 75 20.896 -4.206 -2.919 1.00 0.00 O ATOM 1165 OD2 ASP A 75 20.226 -2.475 -4.132 1.00 0.00 O ATOM 0 H ASP A 75 18.584 -6.256 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 75 19.046 -4.388 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.077 -4.181 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.033 -2.788 -2.862 1.00 0.00 H new ATOM 1170 N CYS A 76 16.004 -5.280 -1.753 1.00 0.00 N ATOM 1171 CA CYS A 76 14.621 -5.309 -1.260 1.00 0.00 C ATOM 1172 C CYS A 76 14.490 -6.026 0.083 1.00 0.00 C ATOM 1173 O CYS A 76 13.662 -5.666 0.915 1.00 0.00 O ATOM 1174 CB CYS A 76 13.737 -5.905 -2.348 1.00 0.00 C ATOM 1175 SG CYS A 76 12.043 -6.269 -1.831 1.00 0.00 S ATOM 0 H CYS A 76 16.188 -5.952 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 76 14.288 -4.292 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.705 -5.214 -3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.198 -6.825 -2.708 1.00 0.00 H new ATOM 1180 N ASP A 77 15.375 -6.992 0.308 1.00 0.00 N ATOM 1181 CA ASP A 77 15.480 -7.685 1.600 1.00 0.00 C ATOM 1182 C ASP A 77 16.464 -6.973 2.543 1.00 0.00 C ATOM 1183 O ASP A 77 16.596 -7.359 3.694 1.00 0.00 O ATOM 1184 CB ASP A 77 15.924 -9.138 1.350 1.00 0.00 C ATOM 1185 CG ASP A 77 15.774 -10.015 2.601 1.00 0.00 C ATOM 1186 OD1 ASP A 77 14.677 -10.596 2.729 1.00 0.00 O ATOM 1187 OD2 ASP A 77 16.769 -10.119 3.345 1.00 0.00 O ATOM 0 H ASP A 77 16.040 -7.320 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 77 14.505 -7.675 2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.333 -9.562 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.964 -9.147 1.025 1.00 0.00 H new ATOM 1192 N ARG A 78 17.103 -5.905 2.056 1.00 0.00 N ATOM 1193 CA ARG A 78 18.098 -5.124 2.817 1.00 0.00 C ATOM 1194 C ARG A 78 17.463 -4.420 4.031 1.00 0.00 C ATOM 1195 O ARG A 78 16.234 -4.322 4.088 1.00 0.00 O ATOM 1196 CB ARG A 78 18.756 -4.086 1.904 1.00 0.00 C ATOM 1197 CG ARG A 78 20.208 -4.448 1.604 1.00 0.00 C ATOM 1198 CD ARG A 78 21.067 -3.181 1.655 1.00 0.00 C ATOM 1199 NE ARG A 78 22.203 -3.346 0.741 1.00 0.00 N ATOM 1200 CZ ARG A 78 23.357 -3.989 0.960 1.00 0.00 C ATOM 1201 NH1 ARG A 78 23.641 -4.553 2.122 1.00 0.00 N ATOM 1202 NH2 ARG A 78 24.252 -4.051 -0.006 1.00 0.00 N ATOM 0 H ARG A 78 16.946 -5.550 1.113 1.00 0.00 H new ATOM 0 HA ARG A 78 18.851 -5.819 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 78 18.197 -4.014 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.714 -3.105 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.570 -5.176 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.283 -4.913 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.475 -2.311 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.422 -3.005 2.671 1.00 0.00 H new ATOM 0 HE ARG A 78 22.101 -2.916 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.970 -4.507 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 78 24.531 -5.034 2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 78 24.061 -3.612 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 78 25.135 -4.538 0.147 1.00 0.00 H new ATOM 1216 N PRO A 79 18.265 -3.978 5.011 1.00 0.00 N ATOM 1217 CA PRO A 79 17.753 -3.246 6.175 1.00 0.00 C ATOM 1218 C PRO A 79 17.235 -1.855 5.782 1.00 0.00 C ATOM 1219 O PRO A 79 17.986 -1.031 5.257 1.00 0.00 O ATOM 1220 CB PRO A 79 18.910 -3.180 7.164 1.00 0.00 C ATOM 1221 CG PRO A 79 20.158 -3.275 6.291 1.00 0.00 C ATOM 1222 CD PRO A 79 19.718 -4.225 5.187 1.00 0.00 C ATOM 0 HA PRO A 79 16.894 -3.748 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.893 -2.251 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.865 -3.997 7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 79 20.452 -2.302 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 79 21.012 -3.665 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 79 20.264 -4.034 4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.910 -5.262 5.462 1.00 0.00 H new ATOM 1230 N PRO A 80 15.941 -1.605 5.973 1.00 0.00 N ATOM 1231 CA PRO A 80 15.295 -0.342 5.656 1.00 0.00 C ATOM 1232 C PRO A 80 15.647 0.699 6.713 1.00 0.00 C ATOM 1233 O PRO A 80 15.315 0.593 7.896 1.00 0.00 O ATOM 1234 CB PRO A 80 13.802 -0.667 5.625 1.00 0.00 C ATOM 1235 CG PRO A 80 13.629 -1.805 6.592 1.00 0.00 C ATOM 1236 CD PRO A 80 14.948 -2.557 6.473 1.00 0.00 C ATOM 0 HA PRO A 80 15.617 0.083 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.205 0.196 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.481 -0.949 4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.457 -1.449 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.780 -2.435 6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 80 15.251 -2.958 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.849 -3.403 5.793 1.00 0.00 H new ATOM 1244 N LYS A 81 16.356 1.707 6.221 1.00 0.00 N ATOM 1245 CA LYS A 81 16.811 2.803 7.089 1.00 0.00 C ATOM 1246 C LYS A 81 15.723 3.878 7.134 1.00 0.00 C ATOM 1247 O LYS A 81 15.636 4.745 6.269 1.00 0.00 O ATOM 1248 CB LYS A 81 18.129 3.376 6.558 1.00 0.00 C ATOM 1249 CG LYS A 81 19.049 3.720 7.731 1.00 0.00 C ATOM 1250 CD LYS A 81 20.301 2.834 7.687 1.00 0.00 C ATOM 1251 CE LYS A 81 21.080 2.977 8.997 1.00 0.00 C ATOM 1252 NZ LYS A 81 22.465 3.407 8.725 1.00 0.00 N ATOM 0 H LYS A 81 16.629 1.795 5.242 1.00 0.00 H new ATOM 0 HA LYS A 81 16.989 2.434 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.614 2.652 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.935 4.267 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 81 19.334 4.771 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 81 18.522 3.574 8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 81 20.017 1.793 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.931 3.120 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 81 20.587 3.703 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 81 21.085 2.027 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.982 3.500 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 22.937 2.700 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 22.454 4.324 8.235 1.00 0.00 H new ATOM 1266 N HIS A 82 14.735 3.586 7.977 1.00 0.00 N ATOM 1267 CA HIS A 82 13.616 4.515 8.202 1.00 0.00 C ATOM 1268 C HIS A 82 14.027 5.577 9.227 1.00 0.00 C ATOM 1269 O HIS A 82 14.595 5.277 10.270 1.00 0.00 O ATOM 1270 CB HIS A 82 12.387 3.746 8.664 1.00 0.00 C ATOM 1271 CG HIS A 82 11.224 4.643 9.081 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.976 5.057 10.317 1.00 0.00 N ATOM 1273 CD2 HIS A 82 10.251 5.104 8.311 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.863 5.780 10.313 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.402 5.786 9.072 1.00 0.00 N ATOM 0 H HIS A 82 14.681 2.721 8.515 1.00 0.00 H new ATOM 0 HA HIS A 82 13.365 5.020 7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 82 12.057 3.088 7.860 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.662 3.109 9.504 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.162 4.952 7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.416 6.272 11.164 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.543 6.236 8.755 1.00 0.00 H new ATOM 1284 N SER A 83 13.702 6.803 8.860 1.00 0.00 N ATOM 1285 CA SER A 83 14.050 7.979 9.692 1.00 0.00 C ATOM 1286 C SER A 83 12.878 8.335 10.628 1.00 0.00 C ATOM 1287 O SER A 83 12.205 7.449 11.126 1.00 0.00 O ATOM 1288 CB SER A 83 14.499 9.115 8.772 1.00 0.00 C ATOM 1289 OG SER A 83 15.017 10.193 9.558 1.00 0.00 O ATOM 0 H SER A 83 13.201 7.027 8.000 1.00 0.00 H new ATOM 0 HA SER A 83 14.887 7.764 10.356 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.262 8.757 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.660 9.462 8.169 1.00 0.00 H new ATOM 0 HG SER A 83 15.306 10.919 8.967 1.00 0.00 H new ATOM 1295 N LYS A 84 12.693 9.602 10.951 1.00 0.00 N ATOM 1296 CA LYS A 84 11.582 10.064 11.812 1.00 0.00 C ATOM 1297 C LYS A 84 10.206 9.924 11.136 1.00 0.00 C ATOM 1298 O LYS A 84 9.552 8.894 11.246 1.00 0.00 O ATOM 1299 CB LYS A 84 11.879 11.491 12.299 1.00 0.00 C ATOM 1300 CG LYS A 84 12.183 11.488 13.791 1.00 0.00 C ATOM 1301 CD LYS A 84 10.910 11.252 14.608 1.00 0.00 C ATOM 1302 CE LYS A 84 11.251 10.617 15.957 1.00 0.00 C ATOM 1303 NZ LYS A 84 10.784 11.460 17.058 1.00 0.00 N ATOM 0 H LYS A 84 13.303 10.354 10.630 1.00 0.00 H new ATOM 0 HA LYS A 84 11.520 9.413 12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.726 11.901 11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.025 12.137 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.913 10.711 14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.632 12.439 14.077 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.391 12.197 14.765 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.231 10.603 14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.791 9.631 16.027 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.329 10.473 16.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.025 11.012 17.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.242 12.392 17.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.753 11.576 16.993 1.00 0.00 H new ATOM 1317 N ASP A 85 9.900 10.899 10.282 1.00 0.00 N ATOM 1318 CA ASP A 85 8.665 10.909 9.453 1.00 0.00 C ATOM 1319 C ASP A 85 8.646 9.690 8.514 1.00 0.00 C ATOM 1320 O ASP A 85 7.597 9.150 8.177 1.00 0.00 O ATOM 1321 CB ASP A 85 8.588 12.173 8.583 1.00 0.00 C ATOM 1322 CG ASP A 85 9.113 13.454 9.240 1.00 0.00 C ATOM 1323 OD1 ASP A 85 10.358 13.515 9.407 1.00 0.00 O ATOM 1324 OD2 ASP A 85 8.290 14.342 9.537 1.00 0.00 O ATOM 0 H ASP A 85 10.495 11.714 10.135 1.00 0.00 H new ATOM 0 HA ASP A 85 7.817 10.883 10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.151 11.998 7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.549 12.332 8.294 1.00 0.00 H new ATOM 1329 N GLY A 86 9.859 9.326 8.115 1.00 0.00 N ATOM 1330 CA GLY A 86 10.145 8.180 7.254 1.00 0.00 C ATOM 1331 C GLY A 86 10.464 8.568 5.834 1.00 0.00 C ATOM 1332 O GLY A 86 9.775 8.125 4.922 1.00 0.00 O ATOM 0 H GLY A 86 10.699 9.835 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.985 7.623 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.286 7.509 7.256 1.00 0.00 H new ATOM 1336 N ASN A 87 11.454 9.451 5.730 1.00 0.00 N ATOM 1337 CA ASN A 87 11.925 10.028 4.451 1.00 0.00 C ATOM 1338 C ASN A 87 13.392 10.422 4.595 1.00 0.00 C ATOM 1339 O ASN A 87 14.232 10.053 3.781 1.00 0.00 O ATOM 1340 CB ASN A 87 11.144 11.291 4.073 1.00 0.00 C ATOM 1341 CG ASN A 87 9.661 11.235 4.442 1.00 0.00 C ATOM 1342 OD1 ASN A 87 8.916 10.356 4.067 1.00 0.00 O ATOM 1343 ND2 ASN A 87 9.241 11.989 5.413 1.00 0.00 N ATOM 0 H ASN A 87 11.967 9.799 6.540 1.00 0.00 H new ATOM 0 HA ASN A 87 11.780 9.275 3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.599 12.149 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.235 11.455 2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.321 11.827 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.831 12.743 5.765 1.00 0.00 H new ATOM 1350 N GLY A 88 13.684 11.116 5.707 1.00 0.00 N ATOM 1351 CA GLY A 88 15.006 11.660 6.033 1.00 0.00 C ATOM 1352 C GLY A 88 15.561 12.455 4.842 1.00 0.00 C ATOM 1353 O GLY A 88 14.812 13.024 4.046 1.00 0.00 O ATOM 0 H GLY A 88 12.985 11.318 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.936 12.305 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.688 10.849 6.288 1.00 0.00 H new ATOM 1357 N LYS A 89 16.880 12.370 4.713 1.00 0.00 N ATOM 1358 CA LYS A 89 17.584 12.973 3.567 1.00 0.00 C ATOM 1359 C LYS A 89 17.951 11.929 2.487 1.00 0.00 C ATOM 1360 O LYS A 89 17.934 12.230 1.297 1.00 0.00 O ATOM 1361 CB LYS A 89 18.787 13.797 4.046 1.00 0.00 C ATOM 1362 CG LYS A 89 19.918 13.036 4.756 1.00 0.00 C ATOM 1363 CD LYS A 89 21.077 12.863 3.772 1.00 0.00 C ATOM 1364 CE LYS A 89 22.320 12.264 4.457 1.00 0.00 C ATOM 1365 NZ LYS A 89 23.146 13.348 4.972 1.00 0.00 N ATOM 0 H LYS A 89 17.488 11.894 5.379 1.00 0.00 H new ATOM 0 HA LYS A 89 16.899 13.663 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.213 14.308 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.421 14.568 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 89 20.248 13.584 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.564 12.064 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.765 12.215 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.332 13.829 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.020 11.601 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.888 11.662 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 23.988 12.952 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 23.441 13.963 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.600 13.904 5.661 1.00 0.00 H new ATOM 1379 N THR A 90 18.278 10.730 2.951 1.00 0.00 N ATOM 1380 CA THR A 90 18.678 9.580 2.106 1.00 0.00 C ATOM 1381 C THR A 90 18.214 8.245 2.699 1.00 0.00 C ATOM 1382 O THR A 90 18.970 7.406 3.187 1.00 0.00 O ATOM 1383 CB THR A 90 20.190 9.597 1.825 1.00 0.00 C ATOM 1384 OG1 THR A 90 20.485 8.582 0.878 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.080 9.399 3.061 1.00 0.00 C ATOM 0 H THR A 90 18.277 10.511 3.947 1.00 0.00 H new ATOM 0 HA THR A 90 18.170 9.684 1.147 1.00 0.00 H new ATOM 0 HB THR A 90 20.419 10.595 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 90 21.446 8.582 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.128 9.426 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.887 10.195 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.858 8.435 3.519 1.00 0.00 H new ATOM 1393 N ASP A 91 16.900 8.149 2.864 1.00 0.00 N ATOM 1394 CA ASP A 91 16.330 6.884 3.357 1.00 0.00 C ATOM 1395 C ASP A 91 16.324 5.821 2.244 1.00 0.00 C ATOM 1396 O ASP A 91 16.339 6.136 1.058 1.00 0.00 O ATOM 1397 CB ASP A 91 14.939 7.099 3.927 1.00 0.00 C ATOM 1398 CG ASP A 91 14.880 7.360 5.438 1.00 0.00 C ATOM 1399 OD1 ASP A 91 15.955 7.465 6.080 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.749 7.542 5.941 1.00 0.00 O ATOM 0 H ASP A 91 16.227 8.892 2.676 1.00 0.00 H new ATOM 0 HA ASP A 91 16.961 6.517 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.480 7.943 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.333 6.221 3.703 1.00 0.00 H new ATOM 1405 N HIS A 92 16.451 4.571 2.679 1.00 0.00 N ATOM 1406 CA HIS A 92 16.405 3.438 1.742 1.00 0.00 C ATOM 1407 C HIS A 92 15.556 2.289 2.299 1.00 0.00 C ATOM 1408 O HIS A 92 15.943 1.126 2.403 1.00 0.00 O ATOM 1409 CB HIS A 92 17.819 3.041 1.283 1.00 0.00 C ATOM 1410 CG HIS A 92 18.641 2.307 2.339 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.723 0.979 2.431 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.355 2.821 3.329 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.484 0.679 3.458 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.858 1.816 4.031 1.00 0.00 N ATOM 0 H HIS A 92 16.585 4.312 3.657 1.00 0.00 H new ATOM 0 HA HIS A 92 15.891 3.746 0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.737 2.408 0.399 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.356 3.940 0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.501 3.872 3.529 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.757 -0.315 3.779 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.434 1.902 4.868 1.00 0.00 H new ATOM 1423 N TYR A 93 14.363 2.684 2.680 1.00 0.00 N ATOM 1424 CA TYR A 93 13.406 1.742 3.259 1.00 0.00 C ATOM 1425 C TYR A 93 12.504 1.044 2.233 1.00 0.00 C ATOM 1426 O TYR A 93 12.481 1.412 1.063 1.00 0.00 O ATOM 1427 CB TYR A 93 12.641 2.407 4.413 1.00 0.00 C ATOM 1428 CG TYR A 93 11.877 3.657 3.995 1.00 0.00 C ATOM 1429 CD1 TYR A 93 10.869 3.565 3.010 1.00 0.00 C ATOM 1430 CD2 TYR A 93 12.294 4.871 4.546 1.00 0.00 C ATOM 1431 CE1 TYR A 93 10.276 4.738 2.540 1.00 0.00 C ATOM 1432 CE2 TYR A 93 11.691 6.053 4.076 1.00 0.00 C ATOM 1433 CZ TYR A 93 10.707 5.977 3.067 1.00 0.00 C ATOM 1434 OH TYR A 93 10.294 7.102 2.446 1.00 0.00 O ATOM 0 H TYR A 93 14.024 3.643 2.604 1.00 0.00 H new ATOM 0 HA TYR A 93 13.980 0.914 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.940 1.687 4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.346 2.668 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.562 2.603 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 93 13.057 4.902 5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.502 4.700 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.979 7.010 4.484 1.00 0.00 H new ATOM 0 HH TYR A 93 10.004 7.757 3.115 1.00 0.00 H new ATOM 1444 N LEU A 94 11.717 0.098 2.735 1.00 0.00 N ATOM 1445 CA LEU A 94 10.665 -0.528 1.911 1.00 0.00 C ATOM 1446 C LEU A 94 9.332 0.118 2.203 1.00 0.00 C ATOM 1447 O LEU A 94 8.914 0.212 3.356 1.00 0.00 O ATOM 1448 CB LEU A 94 10.572 -2.043 2.141 1.00 0.00 C ATOM 1449 CG LEU A 94 11.251 -2.833 1.016 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.936 -4.307 1.190 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.706 -2.472 -0.358 1.00 0.00 C ATOM 0 H LEU A 94 11.778 -0.254 3.690 1.00 0.00 H new ATOM 0 HA LEU A 94 10.932 -0.372 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.037 -2.295 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.525 -2.336 2.210 1.00 0.00 H new ATOM 0 HG LEU A 94 12.315 -2.602 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.415 -4.878 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.309 -4.647 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.857 -4.456 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.220 -3.059 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.638 -2.687 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.869 -1.411 -0.547 1.00 0.00 H new ATOM 1463 N LEU A 95 8.794 0.775 1.180 1.00 0.00 N ATOM 1464 CA LEU A 95 7.461 1.358 1.324 1.00 0.00 C ATOM 1465 C LEU A 95 6.438 0.503 0.567 1.00 0.00 C ATOM 1466 O LEU A 95 6.740 -0.089 -0.467 1.00 0.00 O ATOM 1467 CB LEU A 95 7.458 2.859 0.970 1.00 0.00 C ATOM 1468 CG LEU A 95 7.384 3.195 -0.516 1.00 0.00 C ATOM 1469 CD1 LEU A 95 5.951 2.998 -0.975 1.00 0.00 C ATOM 1470 CD2 LEU A 95 7.690 4.670 -0.736 1.00 0.00 C ATOM 0 H LEU A 95 9.239 0.915 0.273 1.00 0.00 H new ATOM 0 HA LEU A 95 7.152 1.337 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.611 3.329 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.361 3.311 1.380 1.00 0.00 H new ATOM 0 HG LEU A 95 8.092 2.564 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.873 3.233 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.655 1.962 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.294 3.658 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.634 4.898 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.963 5.277 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.692 4.892 -0.369 1.00 0.00 H new ATOM 1482 N GLU A 96 5.218 0.590 1.069 1.00 0.00 N ATOM 1483 CA GLU A 96 4.073 -0.031 0.391 1.00 0.00 C ATOM 1484 C GLU A 96 2.952 0.948 0.065 1.00 0.00 C ATOM 1485 O GLU A 96 2.498 1.746 0.890 1.00 0.00 O ATOM 1486 CB GLU A 96 3.529 -1.209 1.181 1.00 0.00 C ATOM 1487 CG GLU A 96 2.848 -0.896 2.504 1.00 0.00 C ATOM 1488 CD GLU A 96 2.319 -2.153 3.204 1.00 0.00 C ATOM 1489 OE1 GLU A 96 2.312 -3.238 2.577 1.00 0.00 O ATOM 1490 OE2 GLU A 96 2.008 -2.017 4.400 1.00 0.00 O ATOM 0 H GLU A 96 4.987 1.078 1.935 1.00 0.00 H new ATOM 0 HA GLU A 96 4.463 -0.391 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.816 -1.740 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.353 -1.895 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.554 -0.388 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.022 -0.206 2.330 1.00 0.00 H new ATOM 1497 N PHE A 97 2.489 0.795 -1.158 1.00 0.00 N ATOM 1498 CA PHE A 97 1.395 1.621 -1.686 1.00 0.00 C ATOM 1499 C PHE A 97 0.128 0.766 -1.897 1.00 0.00 C ATOM 1500 O PHE A 97 0.264 -0.340 -2.427 1.00 0.00 O ATOM 1501 CB PHE A 97 1.879 2.275 -2.992 1.00 0.00 C ATOM 1502 CG PHE A 97 0.834 3.140 -3.691 1.00 0.00 C ATOM 1503 CD1 PHE A 97 -0.182 2.544 -4.476 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.847 4.525 -3.469 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.221 3.335 -5.004 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.179 5.320 -4.014 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.213 4.715 -4.770 1.00 0.00 C ATOM 0 H PHE A 97 2.848 0.105 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 97 1.125 2.404 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.753 2.888 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.202 1.492 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.161 1.482 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.636 4.977 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.013 2.883 -5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.178 6.388 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.007 5.327 -5.172 1.00 0.00 H new ATOM 1517 N PRO A 98 -1.069 1.309 -1.609 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.349 0.615 -1.843 1.00 0.00 C ATOM 1519 C PRO A 98 -2.682 0.567 -3.338 1.00 0.00 C ATOM 1520 O PRO A 98 -3.260 1.493 -3.891 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.375 1.419 -1.019 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.806 2.829 -1.016 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.295 2.621 -0.981 1.00 0.00 C ATOM 0 HA PRO A 98 -2.333 -0.431 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.366 1.388 -1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.474 1.025 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.111 3.384 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.150 3.396 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.776 3.411 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.919 2.637 0.042 1.00 0.00 H new ATOM 1531 N THR A 99 -2.049 -0.388 -4.004 1.00 0.00 N ATOM 1532 CA THR A 99 -2.236 -0.591 -5.455 1.00 0.00 C ATOM 1533 C THR A 99 -3.618 -1.178 -5.760 1.00 0.00 C ATOM 1534 O THR A 99 -4.166 -1.964 -4.992 1.00 0.00 O ATOM 1535 CB THR A 99 -1.107 -1.424 -6.076 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.160 -1.220 -7.488 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.114 -2.916 -5.739 1.00 0.00 C ATOM 0 H THR A 99 -1.397 -1.042 -3.571 1.00 0.00 H new ATOM 0 HA THR A 99 -2.187 0.391 -5.926 1.00 0.00 H new ATOM 0 HB THR A 99 -0.172 -1.076 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.560 -1.854 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.273 -3.404 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.028 -3.046 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.046 -3.363 -6.085 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.187 -0.691 -6.851 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.556 -1.069 -7.280 1.00 0.00 C ATOM 1547 C PHE A 100 -5.540 -1.933 -8.552 1.00 0.00 C ATOM 1548 O PHE A 100 -4.688 -1.706 -9.420 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.420 0.192 -7.460 1.00 0.00 C ATOM 1550 CG PHE A 100 -6.810 0.789 -6.102 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -5.810 1.276 -5.231 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.169 0.857 -5.729 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.166 1.803 -3.975 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.537 1.444 -4.492 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.524 1.914 -3.632 1.00 0.00 C ATOM 0 H PHE A 100 -3.729 -0.025 -7.473 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.001 -1.682 -6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.872 0.932 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.319 -0.056 -8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.772 1.244 -5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.929 0.462 -6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.402 2.119 -3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.577 1.530 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.797 2.368 -2.691 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.466 -2.898 -8.677 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.521 -3.807 -9.842 1.00 0.00 C ATOM 1567 C PRO A 101 -7.104 -3.120 -11.073 1.00 0.00 C ATOM 1568 O PRO A 101 -6.478 -3.184 -12.127 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.368 -4.997 -9.387 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.290 -4.430 -8.308 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.539 -3.238 -7.709 1.00 0.00 C ATOM 0 HA PRO A 101 -5.525 -4.125 -10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.939 -5.416 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.744 -5.799 -8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.245 -4.119 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.509 -5.178 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.209 -2.392 -7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.119 -3.491 -6.735 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.159 -2.329 -10.867 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.801 -1.483 -11.907 1.00 0.00 C ATOM 1581 C ASP A 102 -7.753 -0.687 -12.690 1.00 0.00 C ATOM 1582 O ASP A 102 -7.943 -0.376 -13.861 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.786 -0.514 -11.258 1.00 0.00 C ATOM 1584 CG ASP A 102 -10.701 0.163 -12.281 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -11.772 -0.420 -12.529 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -10.353 1.292 -12.702 1.00 0.00 O ATOM 0 H ASP A 102 -8.610 -2.248 -9.956 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.330 -2.141 -12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.394 -1.052 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.233 0.248 -10.709 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.688 -0.351 -11.971 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.545 0.375 -12.533 1.00 0.00 C ATOM 1593 C GLY A 103 -5.687 1.893 -12.412 1.00 0.00 C ATOM 1594 O GLY A 103 -4.901 2.648 -12.987 1.00 0.00 O ATOM 0 H GLY A 103 -6.588 -0.573 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.634 0.059 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.432 0.108 -13.584 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.632 2.273 -11.573 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.871 3.669 -11.249 1.00 0.00 C ATOM 1600 C HIS A 104 -5.932 4.043 -10.113 1.00 0.00 C ATOM 1601 O HIS A 104 -5.735 3.286 -9.156 1.00 0.00 O ATOM 1602 CB HIS A 104 -8.347 3.943 -10.917 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.854 3.390 -9.575 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.707 2.386 -9.399 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.586 3.905 -8.380 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.955 2.281 -8.102 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -9.247 3.208 -7.469 1.00 0.00 N ATOM 0 H HIS A 104 -7.257 1.623 -11.096 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.663 4.297 -12.115 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -8.506 5.021 -10.925 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.961 3.524 -11.714 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.940 4.748 -8.185 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.618 1.565 -7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -9.217 3.357 -6.460 1.00 0.00 H new ATOM 1616 N ASP A 105 -5.178 5.095 -10.387 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.297 5.716 -9.398 1.00 0.00 C ATOM 1618 C ASP A 105 -5.110 6.340 -8.276 1.00 0.00 C ATOM 1619 O ASP A 105 -5.471 7.522 -8.317 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.373 6.755 -10.074 1.00 0.00 C ATOM 1621 CG ASP A 105 -4.075 7.704 -11.059 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -5.227 8.120 -10.819 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -3.502 7.854 -12.155 1.00 0.00 O ATOM 0 H ASP A 105 -5.156 5.547 -11.301 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.665 4.945 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.893 7.351 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.582 6.225 -10.604 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.549 5.477 -7.368 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.298 5.880 -6.169 1.00 0.00 C ATOM 1630 C TYR A 106 -5.808 7.234 -5.688 1.00 0.00 C ATOM 1631 O TYR A 106 -4.605 7.465 -5.654 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.004 4.845 -5.087 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.313 5.239 -3.635 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.531 5.856 -3.281 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.272 5.053 -2.698 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.698 6.349 -1.980 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.451 5.513 -1.384 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.652 6.168 -1.054 1.00 0.00 C ATOM 1639 OH TYR A 106 -6.898 6.533 0.218 1.00 0.00 O ATOM 0 H TYR A 106 -5.398 4.471 -7.437 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.364 5.943 -6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.570 3.943 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.948 4.583 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.327 5.948 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.353 4.565 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.608 6.856 -1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.682 5.367 -0.640 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.518 5.867 0.829 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.779 8.076 -5.370 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.540 9.411 -4.792 1.00 0.00 C ATOM 1651 C LYS A 107 -5.889 9.282 -3.405 1.00 0.00 C ATOM 1652 O LYS A 107 -6.414 9.642 -2.353 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.860 10.202 -4.789 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.956 9.491 -3.979 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.354 9.620 -4.573 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.107 10.850 -4.060 1.00 0.00 C ATOM 1657 NZ LYS A 107 -11.294 11.801 -5.158 1.00 0.00 N ATOM 0 H LYS A 107 -7.767 7.860 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.832 9.975 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.687 11.194 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.201 10.342 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.704 8.434 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.965 9.896 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.279 9.673 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.928 8.724 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.074 10.554 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.549 11.319 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.806 12.637 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.366 12.092 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.843 11.351 -5.918 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.639 8.831 -3.448 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.785 8.676 -2.261 1.00 0.00 C ATOM 1673 C PHE A 108 -3.377 10.019 -1.628 1.00 0.00 C ATOM 1674 O PHE A 108 -2.668 10.120 -0.638 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.581 7.775 -2.569 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.597 8.424 -3.542 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.780 9.466 -3.060 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.618 8.101 -4.916 1.00 0.00 C ATOM 1679 CE1 PHE A 108 -0.032 10.237 -3.964 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.804 8.807 -5.813 1.00 0.00 C ATOM 1681 CZ PHE A 108 -0.030 9.887 -5.332 1.00 0.00 C ATOM 0 H PHE A 108 -4.179 8.558 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.383 8.177 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.064 7.536 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.934 6.833 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.729 9.670 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.260 7.311 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.535 11.088 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.769 8.530 -6.856 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.574 10.455 -6.024 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.655 11.057 -2.398 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.402 12.445 -2.024 1.00 0.00 C ATOM 1693 C ASP A 109 -4.643 13.114 -1.411 1.00 0.00 C ATOM 1694 O ASP A 109 -4.533 14.195 -0.850 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.886 13.218 -3.260 1.00 0.00 C ATOM 1696 CG ASP A 109 -3.871 13.251 -4.429 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -4.261 12.151 -4.882 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -4.284 14.381 -4.779 1.00 0.00 O ATOM 0 H ASP A 109 -4.073 10.960 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.637 12.464 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.654 14.241 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.954 12.764 -3.596 1.00 0.00 H new ATOM 1703 N SER A 110 -5.787 12.427 -1.463 1.00 0.00 N ATOM 1704 CA SER A 110 -7.051 12.945 -0.930 1.00 0.00 C ATOM 1705 C SER A 110 -7.207 12.537 0.545 1.00 0.00 C ATOM 1706 O SER A 110 -7.440 11.362 0.844 1.00 0.00 O ATOM 1707 CB SER A 110 -8.231 12.379 -1.708 1.00 0.00 C ATOM 1708 OG SER A 110 -9.118 13.434 -2.070 1.00 0.00 O ATOM 0 H SER A 110 -5.864 11.497 -1.875 1.00 0.00 H new ATOM 0 HA SER A 110 -7.035 14.031 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.877 11.866 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.757 11.640 -1.103 1.00 0.00 H new ATOM 0 HG SER A 110 -10.045 13.132 -1.967 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.802 13.463 1.403 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.861 13.264 2.868 1.00 0.00 C ATOM 1716 C LYS A 111 -8.278 13.010 3.359 1.00 0.00 C ATOM 1717 O LYS A 111 -8.622 11.917 3.789 1.00 0.00 O ATOM 1718 CB LYS A 111 -6.175 14.440 3.590 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.657 14.072 4.982 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.212 14.567 5.181 1.00 0.00 C ATOM 1721 CE LYS A 111 -3.689 14.184 6.568 1.00 0.00 C ATOM 1722 NZ LYS A 111 -2.213 14.178 6.572 1.00 0.00 N ATOM 0 H LYS A 111 -6.425 14.368 1.121 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.307 12.358 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.343 14.796 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.881 15.266 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.303 14.510 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.697 12.991 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.568 14.138 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.174 15.650 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.059 14.889 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.065 13.200 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.869 13.917 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.867 13.488 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.861 15.125 6.325 1.00 0.00 H new ATOM 1736 N LYS A 112 -9.066 14.051 3.186 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.492 14.024 3.535 1.00 0.00 C ATOM 1738 C LYS A 112 -11.355 14.619 2.405 1.00 0.00 C ATOM 1739 O LYS A 112 -11.078 15.734 1.945 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.742 14.670 4.895 1.00 0.00 C ATOM 1741 CG LYS A 112 -10.214 16.099 4.956 1.00 0.00 C ATOM 1742 CD LYS A 112 -10.915 16.885 6.052 1.00 0.00 C ATOM 1743 CE LYS A 112 -10.089 16.900 7.332 1.00 0.00 C ATOM 1744 NZ LYS A 112 -9.947 18.313 7.701 1.00 0.00 N ATOM 0 H LYS A 112 -8.749 14.941 2.802 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.803 12.984 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.812 14.670 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.264 14.074 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.140 16.087 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.367 16.590 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.089 17.907 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.892 16.445 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.584 16.337 8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.115 16.438 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.388 18.389 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.464 18.825 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.888 18.728 7.855 1.00 0.00 H new ATOM 1758 N PRO A 113 -12.290 13.813 1.887 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.510 12.416 2.298 1.00 0.00 C ATOM 1760 C PRO A 113 -11.453 11.483 1.682 1.00 0.00 C ATOM 1761 O PRO A 113 -10.516 11.932 1.024 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.937 12.100 1.838 1.00 0.00 C ATOM 1763 CG PRO A 113 -14.136 12.984 0.610 1.00 0.00 C ATOM 1764 CD PRO A 113 -13.269 14.222 0.870 1.00 0.00 C ATOM 0 HA PRO A 113 -12.406 12.267 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -14.052 11.044 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.666 12.328 2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.828 12.470 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.184 13.255 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.772 14.551 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.874 15.057 1.222 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.596 10.209 2.001 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.630 9.182 1.586 1.00 0.00 C ATOM 1774 C LYS A 114 -11.322 7.818 1.658 1.00 0.00 C ATOM 1775 O LYS A 114 -11.730 7.346 2.712 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.448 9.212 2.553 1.00 0.00 C ATOM 1777 CG LYS A 114 -8.384 8.207 2.142 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.432 7.898 3.294 1.00 0.00 C ATOM 1779 CE LYS A 114 -7.957 6.945 4.357 1.00 0.00 C ATOM 1780 NZ LYS A 114 -8.405 5.705 3.721 1.00 0.00 N ATOM 0 H LYS A 114 -12.376 9.849 2.551 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.276 9.364 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.018 10.213 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.793 8.989 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.862 7.286 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.819 8.599 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.516 7.478 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.162 8.837 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.176 6.731 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.782 7.407 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.474 4.953 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.337 5.855 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.722 5.424 2.989 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.553 7.281 0.470 1.00 0.00 N ATOM 1795 CA GLU A 115 -12.147 5.936 0.343 1.00 0.00 C ATOM 1796 C GLU A 115 -11.165 4.906 0.910 1.00 0.00 C ATOM 1797 O GLU A 115 -9.951 5.008 0.712 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.470 5.648 -1.125 1.00 0.00 C ATOM 1799 CG GLU A 115 -13.211 4.319 -1.320 1.00 0.00 C ATOM 1800 CD GLU A 115 -12.470 3.392 -2.278 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -12.143 3.858 -3.389 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -12.320 2.206 -1.904 1.00 0.00 O ATOM 0 H GLU A 115 -11.345 7.740 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 115 -13.079 5.879 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -13.078 6.460 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.544 5.630 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.331 3.825 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.212 4.514 -1.705 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.748 3.912 1.567 1.00 0.00 N ATOM 1810 CA ASN A 116 -11.010 2.785 2.165 1.00 0.00 C ATOM 1811 C ASN A 116 -9.944 2.241 1.186 1.00 0.00 C ATOM 1812 O ASN A 116 -10.199 2.210 -0.022 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.990 1.658 2.522 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.455 0.834 3.701 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -10.992 1.347 4.713 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.511 -0.471 3.598 1.00 0.00 N ATOM 0 H ASN A 116 -12.757 3.856 1.706 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.509 3.143 3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.962 2.080 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -12.141 1.012 1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.170 -1.058 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.896 -0.900 2.757 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.733 1.968 1.679 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.653 1.463 0.826 1.00 0.00 C ATOM 1825 C PRO A 117 -7.939 0.026 0.339 1.00 0.00 C ATOM 1826 O PRO A 117 -8.977 -0.561 0.652 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.395 1.573 1.696 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.903 1.459 3.125 1.00 0.00 C ATOM 1829 CD PRO A 117 -8.281 2.123 3.076 1.00 0.00 C ATOM 0 HA PRO A 117 -7.541 2.032 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.683 0.781 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.882 2.521 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.971 0.419 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.240 1.965 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.973 1.646 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.222 3.175 3.357 1.00 0.00 H new ATOM 1837 N GLY A 118 -7.015 -0.450 -0.478 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.062 -1.787 -1.089 1.00 0.00 C ATOM 1839 C GLY A 118 -6.248 -2.805 -0.271 1.00 0.00 C ATOM 1840 O GLY A 118 -5.375 -2.395 0.490 1.00 0.00 O ATOM 0 H GLY A 118 -6.190 0.086 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.097 -2.120 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.671 -1.739 -2.105 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.509 -4.104 -0.463 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.757 -5.172 0.220 1.00 0.00 C ATOM 1846 C PRO A 119 -4.365 -5.346 -0.398 1.00 0.00 C ATOM 1847 O PRO A 119 -3.361 -5.223 0.297 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.646 -6.399 0.099 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.498 -6.182 -1.143 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.618 -4.666 -1.283 1.00 0.00 C ATOM 0 HA PRO A 119 -5.550 -4.955 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.048 -7.306 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.271 -6.517 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.031 -6.624 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.478 -6.647 -1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.530 -4.360 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.587 -4.314 -0.928 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.333 -5.599 -1.706 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.064 -5.700 -2.446 1.00 0.00 C ATOM 1860 C ALA A 120 -2.324 -4.367 -2.494 1.00 0.00 C ATOM 1861 O ALA A 120 -2.884 -3.300 -2.729 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.270 -6.266 -3.847 1.00 0.00 C ATOM 0 H ALA A 120 -5.166 -5.738 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.436 -6.401 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.310 -6.325 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.705 -7.263 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.942 -5.616 -4.407 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.065 -4.496 -2.123 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.134 -3.380 -1.993 1.00 0.00 C ATOM 1870 C ARG A 121 1.186 -3.664 -2.686 1.00 0.00 C ATOM 1871 O ARG A 121 1.774 -4.733 -2.532 1.00 0.00 O ATOM 1872 CB ARG A 121 0.106 -3.036 -0.520 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.154 -2.449 0.114 1.00 0.00 C ATOM 1874 CD ARG A 121 -0.813 -1.165 0.866 1.00 0.00 C ATOM 1875 NE ARG A 121 -1.491 -1.101 2.175 1.00 0.00 N ATOM 1876 CZ ARG A 121 -1.238 -1.910 3.209 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -0.444 -2.951 3.081 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -1.857 -1.764 4.364 1.00 0.00 N ATOM 0 H ARG A 121 -0.646 -5.398 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.592 -2.522 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.408 -3.932 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.926 -2.322 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.896 -2.242 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.598 -3.173 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.266 -1.104 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.102 -0.303 0.264 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.207 -0.385 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.009 -3.153 2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.263 -3.556 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.546 -1.021 4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.647 -2.394 5.138 1.00 0.00 H new ATOM 1892 N VAL A 122 1.609 -2.669 -3.455 1.00 0.00 N ATOM 1893 CA VAL A 122 2.877 -2.718 -4.197 1.00 0.00 C ATOM 1894 C VAL A 122 4.039 -2.387 -3.242 1.00 0.00 C ATOM 1895 O VAL A 122 3.964 -1.430 -2.475 1.00 0.00 O ATOM 1896 CB VAL A 122 2.843 -1.822 -5.446 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.585 -0.344 -5.159 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.119 -1.979 -6.276 1.00 0.00 C ATOM 0 H VAL A 122 1.088 -1.802 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 122 3.035 -3.727 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 122 1.985 -2.175 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.578 0.213 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.621 -0.233 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.372 0.044 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.065 -1.333 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.982 -1.700 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.220 -3.016 -6.596 1.00 0.00 H new ATOM 1908 N ILE A 123 5.054 -3.228 -3.312 1.00 0.00 N ATOM 1909 CA ILE A 123 6.256 -3.086 -2.477 1.00 0.00 C ATOM 1910 C ILE A 123 7.458 -2.867 -3.402 1.00 0.00 C ATOM 1911 O ILE A 123 7.605 -3.511 -4.437 1.00 0.00 O ATOM 1912 CB ILE A 123 6.533 -4.321 -1.607 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.273 -4.955 -1.011 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.538 -3.970 -0.493 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.453 -4.020 -0.127 1.00 0.00 C ATOM 0 H ILE A 123 5.079 -4.029 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 123 6.092 -2.244 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 123 6.960 -5.073 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.642 -5.312 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.563 -5.827 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.727 -4.853 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.473 -3.631 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.126 -3.178 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.580 -4.551 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.064 -3.682 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.129 -3.159 -0.711 1.00 0.00 H new ATOM 1927 N TYR A 124 8.302 -1.942 -2.945 1.00 0.00 N ATOM 1928 CA TYR A 124 9.464 -1.461 -3.706 1.00 0.00 C ATOM 1929 C TYR A 124 10.335 -0.560 -2.844 1.00 0.00 C ATOM 1930 O TYR A 124 9.855 0.138 -1.950 1.00 0.00 O ATOM 1931 CB TYR A 124 9.003 -0.693 -4.954 1.00 0.00 C ATOM 1932 CG TYR A 124 8.009 0.416 -4.623 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.635 0.108 -4.483 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.498 1.723 -4.400 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.731 1.118 -4.115 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.592 2.739 -4.090 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.217 2.430 -3.968 1.00 0.00 C ATOM 1938 OH TYR A 124 5.337 3.460 -3.849 1.00 0.00 O ATOM 0 H TYR A 124 8.201 -1.500 -2.031 1.00 0.00 H new ATOM 0 HA TYR A 124 10.050 -2.327 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.871 -0.262 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.545 -1.389 -5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.283 -0.898 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.555 1.932 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.688 0.893 -3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.938 3.752 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 124 5.830 4.302 -3.754 1.00 0.00 H new ATOM 1948 N THR A 125 11.637 -0.738 -3.032 1.00 0.00 N ATOM 1949 CA THR A 125 12.675 0.017 -2.306 1.00 0.00 C ATOM 1950 C THR A 125 12.524 1.526 -2.589 1.00 0.00 C ATOM 1951 O THR A 125 11.583 1.963 -3.255 1.00 0.00 O ATOM 1952 CB THR A 125 14.065 -0.488 -2.708 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.290 -0.148 -4.066 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.244 -2.000 -2.524 1.00 0.00 C ATOM 0 H THR A 125 12.015 -1.414 -3.696 1.00 0.00 H new ATOM 0 HA THR A 125 12.555 -0.139 -1.234 1.00 0.00 H new ATOM 0 HB THR A 125 14.789 -0.010 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.955 -0.757 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.251 -2.287 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 125 14.094 -2.259 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.515 -2.530 -3.137 1.00 0.00 H new ATOM 1962 N TYR A 126 13.531 2.323 -2.227 1.00 0.00 N ATOM 1963 CA TYR A 126 13.495 3.783 -2.389 1.00 0.00 C ATOM 1964 C TYR A 126 14.888 4.420 -2.207 1.00 0.00 C ATOM 1965 O TYR A 126 15.676 3.862 -1.447 1.00 0.00 O ATOM 1966 CB TYR A 126 12.440 4.339 -1.399 1.00 0.00 C ATOM 1967 CG TYR A 126 12.702 5.760 -0.905 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.442 6.879 -1.714 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.293 5.907 0.356 1.00 0.00 C ATOM 1970 CE1 TYR A 126 12.808 8.171 -1.309 1.00 0.00 C ATOM 1971 CE2 TYR A 126 13.644 7.203 0.790 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.409 8.308 -0.048 1.00 0.00 C ATOM 1973 OH TYR A 126 13.795 9.538 0.371 1.00 0.00 O ATOM 0 H TYR A 126 14.396 1.977 -1.813 1.00 0.00 H new ATOM 0 HA TYR A 126 13.205 4.044 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.463 4.313 -1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.388 3.675 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 126 11.951 6.742 -2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.476 5.047 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.634 9.028 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.092 7.346 1.762 1.00 0.00 H new ATOM 0 HH TYR A 126 14.193 9.469 1.264 1.00 0.00 H new ATOM 1983 N PRO A 127 15.231 5.431 -3.021 1.00 0.00 N ATOM 1984 CA PRO A 127 14.445 5.921 -4.183 1.00 0.00 C ATOM 1985 C PRO A 127 14.509 5.047 -5.421 1.00 0.00 C ATOM 1986 O PRO A 127 13.682 5.216 -6.321 1.00 0.00 O ATOM 1987 CB PRO A 127 14.935 7.344 -4.445 1.00 0.00 C ATOM 1988 CG PRO A 127 16.369 7.334 -3.931 1.00 0.00 C ATOM 1989 CD PRO A 127 16.396 6.303 -2.798 1.00 0.00 C ATOM 0 HA PRO A 127 13.383 5.891 -3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 127 14.892 7.593 -5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.327 8.080 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.067 7.063 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 127 16.663 8.320 -3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.323 5.729 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.339 6.790 -1.825 1.00 0.00 H new ATOM 1997 N ASN A 128 15.293 3.969 -5.293 1.00 0.00 N ATOM 1998 CA ASN A 128 15.438 2.927 -6.312 1.00 0.00 C ATOM 1999 C ASN A 128 14.076 2.512 -6.890 1.00 0.00 C ATOM 2000 O ASN A 128 13.905 2.519 -8.101 1.00 0.00 O ATOM 2001 CB ASN A 128 16.104 1.701 -5.690 1.00 0.00 C ATOM 2002 CG ASN A 128 17.429 1.402 -6.371 1.00 0.00 C ATOM 2003 OD1 ASN A 128 17.520 1.048 -7.532 1.00 0.00 O ATOM 2004 ND2 ASN A 128 18.500 1.578 -5.622 1.00 0.00 N ATOM 0 H ASN A 128 15.855 3.795 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 128 16.049 3.329 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.267 1.871 -4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.443 0.839 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.428 1.417 -6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 128 18.400 1.875 -4.651 1.00 0.00 H new ATOM 2011 N LYS A 129 13.120 2.266 -5.986 1.00 0.00 N ATOM 2012 CA LYS A 129 11.755 1.832 -6.356 1.00 0.00 C ATOM 2013 C LYS A 129 11.794 0.553 -7.195 1.00 0.00 C ATOM 2014 O LYS A 129 10.918 0.315 -8.038 1.00 0.00 O ATOM 2015 CB LYS A 129 10.990 2.938 -7.086 1.00 0.00 C ATOM 2016 CG LYS A 129 10.519 4.042 -6.151 1.00 0.00 C ATOM 2017 CD LYS A 129 9.715 5.074 -6.941 1.00 0.00 C ATOM 2018 CE LYS A 129 8.329 5.253 -6.335 1.00 0.00 C ATOM 2019 NZ LYS A 129 7.899 6.650 -6.476 1.00 0.00 N ATOM 0 H LYS A 129 13.263 2.360 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 129 11.220 1.617 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.629 3.368 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.128 2.504 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.906 3.621 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.376 4.520 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.242 6.028 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.625 4.755 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.618 4.593 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.344 4.972 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.179 6.866 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.717 7.280 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.497 6.795 -7.424 1.00 0.00 H new ATOM 2033 N VAL A 130 12.819 -0.260 -6.903 1.00 0.00 N ATOM 2034 CA VAL A 130 13.040 -1.557 -7.560 1.00 0.00 C ATOM 2035 C VAL A 130 11.894 -2.477 -7.122 1.00 0.00 C ATOM 2036 O VAL A 130 11.897 -3.002 -6.009 1.00 0.00 O ATOM 2037 CB VAL A 130 14.434 -2.124 -7.214 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.613 -3.597 -7.627 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.510 -1.317 -7.929 1.00 0.00 C ATOM 0 H VAL A 130 13.523 -0.035 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 130 13.034 -1.460 -8.646 1.00 0.00 H new ATOM 0 HB VAL A 130 14.524 -2.057 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.614 -3.932 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.873 -4.211 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.479 -3.692 -8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.492 -1.721 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.354 -1.376 -9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.455 -0.276 -7.611 1.00 0.00 H new ATOM 2049 N PHE A 131 10.866 -2.441 -7.956 1.00 0.00 N ATOM 2050 CA PHE A 131 9.660 -3.244 -7.811 1.00 0.00 C ATOM 2051 C PHE A 131 10.039 -4.659 -7.357 1.00 0.00 C ATOM 2052 O PHE A 131 10.833 -5.345 -8.002 1.00 0.00 O ATOM 2053 CB PHE A 131 8.924 -3.267 -9.156 1.00 0.00 C ATOM 2054 CG PHE A 131 7.777 -4.272 -9.171 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.554 -3.926 -8.557 1.00 0.00 C ATOM 2056 CD2 PHE A 131 8.005 -5.558 -9.702 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.537 -4.890 -8.479 1.00 0.00 C ATOM 2058 CE2 PHE A 131 6.997 -6.524 -9.611 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.768 -6.184 -9.003 1.00 0.00 C ATOM 0 H PHE A 131 10.847 -1.835 -8.776 1.00 0.00 H new ATOM 0 HA PHE A 131 9.000 -2.816 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.535 -2.272 -9.372 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.630 -3.513 -9.950 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.403 -2.935 -8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.947 -5.795 -10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.588 -4.647 -8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.157 -7.518 -10.001 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.988 -6.928 -8.937 1.00 0.00 H new ATOM 2069 N CYS A 132 9.550 -4.976 -6.174 1.00 0.00 N ATOM 2070 CA CYS A 132 9.858 -6.267 -5.567 1.00 0.00 C ATOM 2071 C CYS A 132 8.702 -7.243 -5.809 1.00 0.00 C ATOM 2072 O CYS A 132 8.900 -8.354 -6.306 1.00 0.00 O ATOM 2073 CB CYS A 132 10.111 -6.013 -4.097 1.00 0.00 C ATOM 2074 SG CYS A 132 11.380 -7.181 -3.523 1.00 0.00 S ATOM 0 H CYS A 132 8.946 -4.371 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 132 10.742 -6.727 -6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 132 10.442 -4.986 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.191 -6.141 -3.526 1.00 0.00 H new ATOM 2079 N GLY A 133 7.512 -6.703 -5.579 1.00 0.00 N ATOM 2080 CA GLY A 133 6.263 -7.446 -5.771 1.00 0.00 C ATOM 2081 C GLY A 133 5.032 -6.726 -5.265 1.00 0.00 C ATOM 2082 O GLY A 133 4.995 -5.501 -5.157 1.00 0.00 O ATOM 0 H GLY A 133 7.380 -5.744 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.137 -7.656 -6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.343 -8.407 -5.263 1.00 0.00 H new ATOM 2086 N ILE A 134 4.038 -7.558 -5.030 1.00 0.00 N ATOM 2087 CA ILE A 134 2.748 -7.119 -4.470 1.00 0.00 C ATOM 2088 C ILE A 134 2.351 -8.100 -3.379 1.00 0.00 C ATOM 2089 O ILE A 134 2.508 -9.309 -3.501 1.00 0.00 O ATOM 2090 CB ILE A 134 1.684 -6.972 -5.579 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.962 -5.729 -6.425 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.248 -6.828 -5.046 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.391 -6.097 -7.828 1.00 0.00 C ATOM 0 H ILE A 134 4.088 -8.559 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 134 2.835 -6.128 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 134 1.755 -7.892 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 134 1.066 -5.109 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.740 -5.131 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.443 -6.729 -5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.013 -7.710 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.181 -5.942 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.580 -5.189 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.301 -6.695 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.601 -6.673 -8.311 1.00 0.00 H new ATOM 2105 N ILE A 135 1.916 -7.526 -2.279 1.00 0.00 N ATOM 2106 CA ILE A 135 1.438 -8.311 -1.124 1.00 0.00 C ATOM 2107 C ILE A 135 0.027 -7.882 -0.759 1.00 0.00 C ATOM 2108 O ILE A 135 -0.319 -6.705 -0.829 1.00 0.00 O ATOM 2109 CB ILE A 135 2.399 -8.142 0.061 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.455 -6.685 0.487 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.794 -8.660 -0.295 1.00 0.00 C ATOM 2112 CD1 ILE A 135 3.065 -6.515 1.868 1.00 0.00 C ATOM 0 H ILE A 135 1.877 -6.516 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 135 1.414 -9.369 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 135 2.026 -8.732 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.038 -6.118 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.448 -6.268 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.459 -8.531 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.735 -9.718 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.183 -8.101 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 135 3.084 -5.457 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.467 -7.059 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.082 -6.907 1.867 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.797 -8.873 -0.445 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.187 -8.630 -0.056 1.00 0.00 C ATOM 2126 C ALA A 136 -2.526 -9.420 1.201 1.00 0.00 C ATOM 2127 O ALA A 136 -2.027 -10.532 1.404 1.00 0.00 O ATOM 2128 CB ALA A 136 -3.145 -9.036 -1.173 1.00 0.00 C ATOM 0 H ALA A 136 -0.529 -9.857 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.299 -7.563 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.171 -8.846 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.926 -8.455 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -3.023 -10.097 -1.389 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.418 -8.837 1.973 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.884 -9.461 3.225 1.00 0.00 C ATOM 2136 C HIS A 137 -4.804 -10.632 2.889 1.00 0.00 C ATOM 2137 O HIS A 137 -5.870 -10.475 2.305 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.662 -8.430 4.047 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.859 -7.187 4.423 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.337 -6.919 5.617 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.637 -6.139 3.638 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.804 -5.706 5.571 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -2.956 -5.240 4.330 1.00 0.00 N ATOM 0 H HIS A 137 -3.844 -7.933 1.769 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.028 -9.816 3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.542 -8.122 3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -5.020 -8.906 4.960 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.345 -7.539 6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -3.957 -6.038 2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.331 -5.187 6.392 1.00 0.00 H new ATOM 2152 N THR A 138 -4.411 -11.803 3.362 1.00 0.00 N ATOM 2153 CA THR A 138 -5.156 -13.053 3.118 1.00 0.00 C ATOM 2154 C THR A 138 -6.374 -13.217 4.035 1.00 0.00 C ATOM 2155 O THR A 138 -6.652 -14.299 4.569 1.00 0.00 O ATOM 2156 CB THR A 138 -4.182 -14.216 3.275 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.343 -13.950 4.400 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.426 -14.415 1.964 1.00 0.00 C ATOM 0 H THR A 138 -3.570 -11.927 3.926 1.00 0.00 H new ATOM 0 HA THR A 138 -5.563 -13.027 2.107 1.00 0.00 H new ATOM 0 HB THR A 138 -4.693 -15.158 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.710 -14.689 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.728 -15.245 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.134 -14.636 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.875 -13.506 1.720 1.00 0.00 H new ATOM 2166 N LYS A 139 -7.165 -12.144 4.087 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.369 -11.981 4.927 1.00 0.00 C ATOM 2168 C LYS A 139 -8.942 -10.563 4.725 1.00 0.00 C ATOM 2169 O LYS A 139 -8.780 -9.670 5.559 1.00 0.00 O ATOM 2170 CB LYS A 139 -8.040 -12.281 6.402 1.00 0.00 C ATOM 2171 CG LYS A 139 -9.090 -11.854 7.443 1.00 0.00 C ATOM 2172 CD LYS A 139 -9.463 -13.000 8.367 1.00 0.00 C ATOM 2173 CE LYS A 139 -10.871 -13.459 8.034 1.00 0.00 C ATOM 2174 NZ LYS A 139 -10.999 -14.840 8.478 1.00 0.00 N ATOM 0 H LYS A 139 -6.980 -11.318 3.518 1.00 0.00 H new ATOM 0 HA LYS A 139 -9.135 -12.696 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.877 -13.354 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.098 -11.791 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -8.702 -11.023 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.983 -11.493 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.760 -13.824 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -9.407 -12.680 9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -11.607 -12.827 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -11.056 -13.382 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -11.956 -15.186 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -10.299 -15.430 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -10.834 -14.892 9.503 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.547 -10.346 3.559 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.224 -9.086 3.185 1.00 0.00 C ATOM 2190 C GLU A 140 -9.222 -7.941 3.007 1.00 0.00 C ATOM 2191 O GLU A 140 -8.823 -7.637 1.896 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.326 -8.756 4.208 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.751 -8.987 3.704 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.494 -7.658 3.560 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.402 -6.840 4.496 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.118 -7.491 2.489 1.00 0.00 O ATOM 0 H GLU A 140 -9.586 -11.052 2.824 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.703 -9.219 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -11.168 -9.361 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -11.225 -7.713 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.724 -9.500 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.287 -9.636 4.397 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.822 -7.379 4.139 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.797 -6.328 4.265 1.00 0.00 C ATOM 2205 C ASN A 141 -7.098 -6.375 5.636 1.00 0.00 C ATOM 2206 O ASN A 141 -6.772 -5.362 6.255 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.481 -4.989 3.992 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.487 -3.829 3.952 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -6.275 -3.966 3.902 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.020 -2.633 4.000 1.00 0.00 N ATOM 0 H ASN A 141 -9.215 -7.649 5.041 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.998 -6.481 3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.013 -5.042 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -9.226 -4.800 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.421 -1.807 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -9.034 -2.528 4.042 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.960 -7.580 6.173 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.297 -7.804 7.453 1.00 0.00 C ATOM 2219 C GLN A 142 -5.604 -9.169 7.508 1.00 0.00 C ATOM 2220 O GLN A 142 -5.838 -10.045 6.674 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.285 -7.661 8.609 1.00 0.00 C ATOM 2222 CG GLN A 142 -6.786 -6.557 9.550 1.00 0.00 C ATOM 2223 CD GLN A 142 -7.380 -6.754 10.944 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -8.456 -6.287 11.284 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -6.666 -7.496 11.770 1.00 0.00 N ATOM 0 H GLN A 142 -7.305 -8.433 5.733 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.527 -7.040 7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.277 -7.414 8.230 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.375 -8.604 9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.697 -6.577 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -7.068 -5.579 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -5.770 -7.877 11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -7.011 -7.688 12.711 1.00 0.00 H new ATOM 2234 N GLY A 143 -4.688 -9.261 8.467 1.00 0.00 N ATOM 2235 CA GLY A 143 -3.883 -10.470 8.703 1.00 0.00 C ATOM 2236 C GLY A 143 -2.595 -10.404 7.881 1.00 0.00 C ATOM 2237 O GLY A 143 -2.399 -9.490 7.073 1.00 0.00 O ATOM 0 H GLY A 143 -4.477 -8.498 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.645 -10.558 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.454 -11.357 8.430 1.00 0.00 H new ATOM 2241 N GLU A 144 -1.694 -11.341 8.186 1.00 0.00 N ATOM 2242 CA GLU A 144 -0.393 -11.447 7.492 1.00 0.00 C ATOM 2243 C GLU A 144 -0.517 -11.332 5.982 1.00 0.00 C ATOM 2244 O GLU A 144 -1.309 -12.016 5.340 1.00 0.00 O ATOM 2245 CB GLU A 144 0.314 -12.759 7.839 1.00 0.00 C ATOM 2246 CG GLU A 144 1.309 -12.563 8.993 1.00 0.00 C ATOM 2247 CD GLU A 144 0.977 -13.482 10.168 1.00 0.00 C ATOM 2248 OE1 GLU A 144 0.052 -13.102 10.931 1.00 0.00 O ATOM 2249 OE2 GLU A 144 1.658 -14.514 10.296 1.00 0.00 O ATOM 0 H GLU A 144 -1.836 -12.044 8.912 1.00 0.00 H new ATOM 0 HA GLU A 144 0.200 -10.604 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -0.425 -13.512 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.840 -13.136 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 144 2.321 -12.766 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 144 1.288 -11.524 9.323 1.00 0.00 H new ATOM 2256 N LEU A 145 0.204 -10.342 5.462 1.00 0.00 N ATOM 2257 CA LEU A 145 0.215 -10.059 4.023 1.00 0.00 C ATOM 2258 C LEU A 145 1.003 -11.139 3.301 1.00 0.00 C ATOM 2259 O LEU A 145 2.158 -11.414 3.634 1.00 0.00 O ATOM 2260 CB LEU A 145 0.826 -8.694 3.721 1.00 0.00 C ATOM 2261 CG LEU A 145 -0.080 -7.569 4.200 1.00 0.00 C ATOM 2262 CD1 LEU A 145 0.488 -6.917 5.459 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.233 -6.539 3.087 1.00 0.00 C ATOM 0 H LEU A 145 0.791 -9.718 6.015 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.818 -10.049 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.799 -8.613 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 145 0.995 -8.597 2.649 1.00 0.00 H new ATOM 0 HG LEU A 145 -1.059 -7.979 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -0.175 -6.115 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 145 0.571 -7.663 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.474 -6.507 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.881 -5.731 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.746 -6.135 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.673 -7.014 2.210 1.00 0.00 H new ATOM 2275 N LYS A 146 0.301 -11.867 2.452 1.00 0.00 N ATOM 2276 CA LYS A 146 0.964 -12.886 1.626 1.00 0.00 C ATOM 2277 C LYS A 146 1.405 -12.311 0.290 1.00 0.00 C ATOM 2278 O LYS A 146 0.638 -11.624 -0.383 1.00 0.00 O ATOM 2279 CB LYS A 146 0.102 -14.138 1.413 1.00 0.00 C ATOM 2280 CG LYS A 146 0.192 -15.078 2.617 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.481 -16.420 2.312 1.00 0.00 C ATOM 2282 CE LYS A 146 0.541 -17.565 2.288 1.00 0.00 C ATOM 2283 NZ LYS A 146 -0.149 -18.830 2.003 1.00 0.00 N ATOM 0 H LYS A 146 -0.706 -11.783 2.310 1.00 0.00 H new ATOM 0 HA LYS A 146 1.847 -13.199 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.936 -13.846 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 146 0.429 -14.660 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.237 -15.242 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 146 -0.284 -14.615 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -1.243 -16.626 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.989 -16.364 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.300 -17.373 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.056 -17.627 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.543 -19.607 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.858 -19.013 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.621 -18.767 1.078 1.00 0.00 H new ATOM 2297 N LEU A 147 2.702 -12.454 0.065 1.00 0.00 N ATOM 2298 CA LEU A 147 3.351 -12.038 -1.193 1.00 0.00 C ATOM 2299 C LEU A 147 2.665 -12.754 -2.349 1.00 0.00 C ATOM 2300 O LEU A 147 2.710 -13.980 -2.446 1.00 0.00 O ATOM 2301 CB LEU A 147 4.855 -12.346 -1.149 1.00 0.00 C ATOM 2302 CG LEU A 147 5.565 -12.064 -2.484 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.785 -10.579 -2.737 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.899 -12.809 -2.517 1.00 0.00 C ATOM 0 H LEU A 147 3.345 -12.861 0.744 1.00 0.00 H new ATOM 0 HA LEU A 147 3.250 -10.961 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.320 -11.750 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.998 -13.393 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 147 4.913 -12.421 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.290 -10.444 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.823 -10.067 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.400 -10.161 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.403 -12.610 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.526 -12.469 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.720 -13.880 -2.419 1.00 0.00 H new ATOM 2316 N CYS A 148 1.885 -11.957 -3.078 1.00 0.00 N ATOM 2317 CA CYS A 148 1.193 -12.399 -4.303 1.00 0.00 C ATOM 2318 C CYS A 148 2.228 -13.050 -5.237 1.00 0.00 C ATOM 2319 O CYS A 148 3.447 -12.997 -5.034 1.00 0.00 O ATOM 2320 CB CYS A 148 0.527 -11.228 -5.026 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.560 -10.184 -3.992 1.00 0.00 S ATOM 0 H CYS A 148 1.710 -10.981 -2.840 1.00 0.00 H new ATOM 0 HA CYS A 148 0.413 -13.109 -4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.306 -10.598 -5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.059 -11.622 -5.857 1.00 0.00 H new ATOM 2326 N SER A 149 1.702 -13.694 -6.254 1.00 0.00 N ATOM 2327 CA SER A 149 2.535 -14.438 -7.204 1.00 0.00 C ATOM 2328 C SER A 149 2.046 -14.216 -8.626 1.00 0.00 C ATOM 2329 O SER A 149 0.886 -13.893 -8.879 1.00 0.00 O ATOM 2330 CB SER A 149 2.548 -15.929 -6.873 1.00 0.00 C ATOM 2331 OG SER A 149 1.216 -16.434 -6.882 1.00 0.00 O ATOM 0 H SER A 149 0.702 -13.725 -6.455 1.00 0.00 H new ATOM 0 HA SER A 149 3.556 -14.064 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.156 -16.467 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 149 3.002 -16.090 -5.895 1.00 0.00 H new ATOM 0 HG SER A 149 1.228 -17.391 -6.671 1.00 0.00 H new ATOM 2337 N HIS A 150 3.010 -14.306 -9.523 1.00 0.00 N ATOM 2338 CA HIS A 150 2.753 -14.136 -10.958 1.00 0.00 C ATOM 2339 C HIS A 150 3.084 -15.380 -11.810 1.00 0.00 C ATOM 2340 O HIS A 150 3.266 -16.453 -11.193 1.00 0.00 O ATOM 2341 CB HIS A 150 3.507 -12.890 -11.419 1.00 0.00 C ATOM 2342 CG HIS A 150 5.006 -12.992 -11.163 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.914 -13.444 -12.028 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.659 -12.470 -10.138 1.00 0.00 C ATOM 2345 CE1 HIS A 150 7.120 -13.180 -11.539 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.960 -12.578 -10.369 1.00 0.00 N ATOM 2347 OXT HIS A 150 3.258 -15.219 -13.039 1.00 0.00 O ATOM 0 H HIS A 150 3.985 -14.496 -9.291 1.00 0.00 H new ATOM 0 HA HIS A 150 1.681 -14.007 -11.109 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.332 -12.736 -12.484 1.00 0.00 H new ATOM 0 HB3 HIS A 150 3.111 -12.016 -10.901 1.00 0.00 H new ATOM 0 HD2 HIS A 150 5.208 -12.030 -9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 150 8.063 -13.414 -12.010 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.707 -12.255 -9.754 1.00 0.00 H new